SCHEMBL1703544

SCHEMBL1703544

COC(=O)c1cc(OC)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
ALDH1A1 P00352 1/20 0.50
GRM5 P41594 1/20 0.49
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
GRM4 Q14833 1/20 0.48
AR P10275 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PLAU P00749 1/20 0.45
BACE1 P56817 1/20 0.45
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.44
PYGL P06737 1/20 0.44
PYGM P11217 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL31175929 1.00 CCR1 (0.52) CCR1CCR5CCR8ALDH1A1GRM5
SCHEMBL10695679 0.84 ALDH1A1 (0.47) ALDH1A1ARMAPK1LMNAKDM4E
SCHEMBL21623015 0.84 AR (0.49) ALDH1A1GRM5NOS1NOS2AR
SCHEMBL2915719 0.83 CCR1 (0.53) CCR1CCR5CCR8ALDH1A1GRM5
SCHEMBL29455922 0.83 ALDH1A1 (0.55) CCR1CCR5CCR8ALDH1A1GRM5
SCHEMBL1023538 0.83 ALDH1A1 (0.55) CCR1CCR5CCR8ALDH1A1GRM5
SCHEMBL4529889 0.83 GRM4 (0.48) ALDH1A1GRM4ARMAPK1KDM4E
SCHEMBL18132195 0.83 CCR1 (0.46) CCR1CCR5CCR8ALDH1A1GRM5
SCHEMBL22605750 0.83 NPC1 (0.52) CCR1CCR5CCR8ALDH1A1NOS3
SCHEMBL13188759 0.83 DYRK1A (0.58) ALDH1A1CA1CA2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4694981-A1 HETEROCYCLIC COMPOUNDS AS DUAL INHIBITORS OF PD-L1 AND ADENOSINE RECEPTORS Aurigene Oncology Limited (IN) 2026-02-18 EP disclosed
US-12514858-B2 CD38 inhibitors Astellas Engineered Small Molecules US, Incorporated (US) 2026-01-06 US disclosed
EP-3750887-B1 BIARYL DERIVATIVES AND THEIR PHARMACEUTICAL APPLICATION FOR THE TREATMENT OF PD-1/PD-L1 SIGNAL PATHWAY-MEDIATED DISEASES ABBISKO THERAPEUTICS CO LTD (CN) 2025-05-28 EP disclosed
US-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA BOSTON INC. 2025-05-01 US disclosed
US-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2025-04-10 US disclosed
CN-119790057-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2025-04-08 CN disclosed
CN-115697985-B CD38 inhibitors 米托布里奇公司 2025-01-21 CN disclosed
WO-2024214088-A1 HETEROCYCLIC COMPOUNDS AS DUAL INHIBITORS OF PD-L1 AND ADENOSINE RECEPTORS AURIGENE ONCOLOGY LIMITED (IN) 2024-10-17 WO disclosed
CN-118748992-A Novel modulators of aryl hydrocarbon receptors and methods of use thereof 元启(苏州)生物制药有限公司 2024-10-08 CN disclosed
EP-4430028-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2024-09-18 EP disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 EP disclosed
WO-2001038326-A2 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-05-31 WO disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 WO disclosed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 WO disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO 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 (2 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-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF AHR, ARNT, NR1H2 CCR1 792/4885CCR5 803/4885CCR8 615/4885
US-20250115629-A1 CHIRAL SYNTHONS FOR THE SYNTHESIS OF CHIRAL PHOSPHOROTHIOATES TYMP, RNGTT, TYMS CCR1 2285/4885CCR5 1748/4885CCR8 3906/4885

“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.