SCHEMBL178561

SCHEMBL178561

CCc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.78
HTR2B P41595 4/20 0.73
KDM4E B2RXH2 2/20 0.70
HTR2A P28223 5/20 0.69
HTR1A P08908 5/20 0.69
HTR2C P28335 3/20 0.69
CYP2D6 P10635 3/20 0.69
CYP1A2 P05177 3/20 0.69
HTR1D P28221 2/20 0.69
HTR1B P28222 2/20 0.69
HTR7 P34969 2/20 0.69
HTR6 P50406 2/20 0.69
HTR4 Q13639 2/20 0.69
MAPT P10636 1/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
TRPM8 Q7Z2W7 1/20 0.69
BLM P54132 2/20 0.68
PMP22 Q01453 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68

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
SCHEMBL5431365 0.88 GPR84 (1.00) GPR84HTR2BKDM4EHTR2AHTR1A
SCHEMBL8252894 0.87 HTR2A (0.76) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL8377078 0.86 HTR2A (0.69) GPR84HTR2BKDM4EHTR2AHTR1A
SCHEMBL217937 0.85 GPR84 (0.76) GPR84HTR2BKDM4EHTR2AHTR1A
SCHEMBL947733 0.85 GPR84 (0.76) GPR84HTR2BKDM4EHTR2AHTR1A
SCHEMBL1723383 0.85 CYP2D6 (0.77) GPR84HTR2BKDM4EHTR2AHTR1A
SCHEMBL3976318 0.85 HTR2B (1.00) GPR84HTR2BKDM4EHTR2AHTR1A
SCHEMBL17320604 0.84 GPR84 (0.57) GPR84HTR2BKDM4EHTR2AHTR1A
SCHEMBL24723360 0.84 GPR84 (0.69) GPR84HTR2BKDM4EHTR2AHTR1A
SCHEMBL30942572 0.84 GPR84 (0.69) GPR84HTR2BKDM4EHTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845547-B Chiral bidentate ligand, catalyst, preparation method and application thereof 江苏医药职业学院 2021-11-12 CN claimed
CN-110845547-A Chiral bidentate ligand, catalyst, preparation method and application thereof 江苏医药职业学院 2020-02-28 CN claimed
EP-0515462-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-02 EP claimed
WO-1991012252-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-08-22 WO claimed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 US disclosed
US-20230015617-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2023-01-19 US disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 WO disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 US disclosed
EP-3275440-B1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2022-05-04 EP disclosed
CN-110845547-B Chiral bidentate ligand, catalyst, preparation method and application thereof 江苏医药职业学院 2021-11-12 CN disclosed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 US disclosed
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed
WO-2008014249-A2 IMPROVED PREPARATIONS OF 2 -SUBSTITUTED PYRROLO [2, 3-B] PYRAZINE ( 4, 7 -DIAZAINDOLE ) COMPOUNDS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
EP-1870399-A1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2007-12-26 EP disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
WO-2007007054-A1 PHTHALAMIDES, SUCCINIMIDES AND RELATED COMPOUNDS AND THEIR USE AS PHARMACEUTICALS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-01-18 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 (7 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-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 GPR84 100/4885HTR2B 101/4885KDM4E 923/4885
US-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 GPR84 2907/4885HTR2B 3157/4885KDM4E 317/4885
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 GPR84 145/4885HTR2B 1176/4885KDM4E 399/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 GPR84 1417/4885HTR2B 3892/4885KDM4E 3143/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 GPR84 103/4885HTR2B 213/4885KDM4E 3035/4885
US-20230015617-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 GPR84 1700/4885HTR2B 296/4885KDM4E 3328/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR GPR84 69/4885HTR2B 183/4885KDM4E 4639/4885

“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.