SCHEMBL10202056

SCHEMBL10202056

CCC(C)c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 0.33

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
SCHEMBL14553998 1.00 TSHR (0.38) TSHRALDH1A1NPC1RAB9ACYP1A2
SCHEMBL13663803 1.00 TSHR (0.38) TSHRALDH1A1NPC1RAB9ACYP1A2
SCHEMBL26199755 0.80 TLR8 (0.34) CYP2D6SMN1; SMN2KCNA5KCNH2
SCHEMBL454826 0.77 NOS3 (0.30)
SCHEMBL5272426 0.77 TSHR (0.32) TSHRALDH1A1
SCHEMBL20472673 0.77 TRPA1 (0.34) TSHRALDH1A1NPC1RAB9ATDP1
SCHEMBL453189 0.77 HDAC8 (0.33) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL8683581 0.77 TAAR1 (0.44) ALDH1A1
SCHEMBL453190 0.77 TRPA1 (0.34) TSHRALDH1A1NPC1RAB9ATDP1
SCHEMBL16677129 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
WO-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed
US-20230109865-A1 Chemical Process for the Preparation of Herbicidal Pyridazine Compounds SYNGENTA CROP PROTECTION AG (CH) 2023-04-13 US disclosed
US-11575088-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-02-07 US disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 US disclosed
US-11325930-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2022-05-10 US disclosed
US-20210403462-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-12-30 US disclosed
US-20140011796-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2014-01-09 US disclosed
US-8569341-B2 Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2013-10-29 US disclosed
US-8097612-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-17 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-7955718-B2 Organic EL element and process for manufacture of organic EL element TDK CORPORATION (JP) 2011-06-07 US disclosed
US-7662971-B2 enzyme inhibitor for treating sleep disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-16 US disclosed
US-20100004227-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-01-07 US disclosed
EP-1549624-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2009-05-13 EP disclosed
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 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 (14 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-11325930-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS TSHR 11/4885ALDH1A1 2149/4885NPC1 4279/4885
US-20100004227-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF BAX, BAD, BAK1 TSHR 2437/4885ALDH1A1 2673/4885NPC1 1771/4885
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 TSHR 3026/4885ALDH1A1 3834/4885NPC1 3297/4885
US-20140011796-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A TSHR 4432/4885ALDH1A1 332/4885NPC1 3218/4885
US-20110136763-A1 TRISUBSTITUTED BORON-CONTAINING MOLECULES BCL6B, BCL6, BLK TSHR 2407/4885ALDH1A1 3788/4885NPC1 1352/4885
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 TSHR 1410/4885ALDH1A1 1721/4885NPC1 811/4885
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM OPRD1, OPRK1, OPRL1 TSHR 924/4885ALDH1A1 673/4885NPC1 83/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV TSHR 2610/4885ALDH1A1 3476/4885NPC1 2892/4885
US-11575088-B2 Composition of matter for use in organic light-emitting diodes CRY2, CYBA, ALDH1A2 TSHR 4759/4885ALDH1A1 116/4885NPC1 864/4885
US-20210403462-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, NIT2 TSHR 1434/4885ALDH1A1 1091/4885NPC1 2699/4885
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 TSHR 3622/4885ALDH1A1 865/4885NPC1 3526/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 TSHR 2101/4885ALDH1A1 2861/4885NPC1 2326/4885
US-20230109865-A1 Chemical Process for the Preparation of Herbicidal Pyridazine Compounds DHFR, DDT, DHPS TSHR 2559/4885ALDH1A1 77/4885NPC1 4443/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 TSHR 4640/4885ALDH1A1 1171/4885NPC1 2431/4885

“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.