SCHEMBL15077331

SCHEMBL15077331

CC(C)c1cccc2c1cnn2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.39
TRPV1 Q8NER1 5/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
FAAH O00519 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL29882186 0.86 CYP1A2 (0.38) CCR4LMNAHPGDFAAHCYP1A2
SCHEMBL22079227 0.86 CYP1A2 (0.38) CCR4LMNAHPGDFAAHCYP1A2
SCHEMBL20509743 0.86 CYP1A2 (0.38) CCR4LMNAHPGDFAAHCYP1A2
SCHEMBL22079231 0.86 CYP1A2 (0.38) CCR4LMNAHPGDFAAHCYP1A2
Hydrochloric Acid SCHEMBL29915561 0.84 LMNA (0.40) CCR4LMNAHPGDFAAHCYP1A2
Hydrochloric Acid SCHEMBL28601058 0.84 LMNA (0.40) CCR4LMNAHPGDFAAHCYP1A2
Hydrochloric Acid SCHEMBL28601059 0.84 LMNA (0.40) CCR4LMNAHPGDFAAHCYP1A2
SCHEMBL25628273 0.82 KDM4E (0.38) CCR4TRPV1LMNAHPGDFAAH
SCHEMBL26856654 0.80 LMNA (0.37) CCR4TRPV1LMNAHPGDKDR
SCHEMBL19964477 0.80 GABRA1 (0.36) TRPV1LMNAHPGDGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
WO-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 WO disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-10 US disclosed
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2015-06-18 US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-8946238-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2015-02-03 US disclosed
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 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 (13 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 CCR4 4441/4885TRPV1 4504/4885LMNA 4281/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD CCR4 3774/4885TRPV1 1222/4885LMNA 3155/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R CCR4 182/4885TRPV1 1207/4885LMNA 4639/4885
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS SYK, BTK, JAK2 CCR4 2387/4885TRPV1 4655/4885LMNA 4511/4885
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS SYK, LCK, BTK CCR4 4533/4885TRPV1 1457/4885LMNA 3173/4885
US-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK CCR4 3455/4885TRPV1 4318/4885LMNA 3978/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR4 281/4885TRPV1 3021/4885LMNA 3781/4885
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS CCR4 722/4885TRPV1 3643/4885LMNA 3948/4885
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 CCR4 3597/4885TRPV1 358/4885LMNA 4107/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL CCR4 2660/4885TRPV1 2184/4885LMNA 658/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS CCR4 722/4885TRPV1 3643/4885LMNA 3948/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS CCR4 2758/4885TRPV1 4828/4885LMNA 3781/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CCR4 3894/4885TRPV1 4532/4885LMNA 2462/4885

“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.