SCHEMBL12414591

SCHEMBL12414591

Cc1nc(Cl)ccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
SLC6A2 P23975 2/20 0.34
HTR2B P41595 2/20 0.34
TRPA1 O75762 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA1A P35348 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
FAAH O00519 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRG2 P18507 1/20 0.30
PTGS1 P23219 1/20 0.30
HTR2C P28335 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31247748 0.84 CHRNB2 (0.33) LMNACHRNB2CHRNA4
SCHEMBL3508190 0.83 PDE2A (0.38) LMNACHRNB2CHRNA4
SCHEMBL26631366 0.80 CHRNB2 (0.33) CHRNB2CHRNA4TSHR
SCHEMBL5748896 0.79 LMNA (0.38) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL25679569 0.79 LMNA (0.35) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL12569450 0.77 LMNA (0.37) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL31128341 0.77 NOS2 (0.54) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL2611052 0.77 NOS2 (0.54) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL2609322 0.76 CCR1 (0.40) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL23792998 0.76 LMNA (0.36) LMNAGABRA1GABRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH LMNA 1759/4885SLC6A2 2301/4885HTR2B 2527/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 LMNA 3204/4885SLC6A2 3949/4885HTR2B 879/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH LMNA 2135/4885SLC6A2 1380/4885HTR2B 588/4885
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS SMO, SHH, GLI1 LMNA 4803/4885SLC6A2 4805/4885HTR2B 2390/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH LMNA 2135/4885SLC6A2 1380/4885HTR2B 588/4885
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS LMNA 3781/4885SLC6A2 3195/4885HTR2B 2716/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS LMNA 3781/4885SLC6A2 3195/4885HTR2B 2716/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 LMNA 2091/4885SLC6A2 921/4885HTR2B 1280/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 LMNA 2108/4885SLC6A2 4427/4885HTR2B 4243/4885
US-20170197910-A1 SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CBR3, VRK1 LMNA 748/4885SLC6A2 4288/4885HTR2B 3950/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS LMNA 3781/4885SLC6A2 3195/4885HTR2B 2716/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.