SCHEMBL176644

SCHEMBL176644

NC(=O)c1ccccc1[CH]CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
METAP2 P50579 1/20 0.44
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GAA P10253 1/20 0.39
CTNNB1 P35222 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL4915227 0.85 KDM4E (0.45) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL7527880 0.84 ALDH1A1 (0.47) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL4704450 0.84 KDM4E (0.47) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL15799113 0.83 AKR1C3 (0.44) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL8579469 0.83 ALDH1A1 (0.54) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL176816 0.82 KDM4E (0.45) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL9903444 0.82 KDM4E (0.45) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL3282649 0.82 KDM4E (0.45) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL5401501 0.82 BCAT2 (0.38) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL14813627 0.81 KDM4E (0.45) BCAT2KDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US claimed
CN-109563085-B Piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2022-08-09 CN claimed
EP-3490986-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-24 EP claimed
US-20210060040-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-03-04 US claimed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 US claimed
US-10632134-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2020-04-28 US claimed
EP-3621619-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VISCERAL PAIN Arena Pharmaceuticals, Inc. (US) 2020-03-18 EP claimed
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2020-03-12 US claimed
CN-110709085-A Compounds and methods for treating visceral pain 艾尼纳制药公司 2020-01-17 CN claimed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 US claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
WO-2004099127-A1 NOVEL COMPOUNDS AS KINASE INHIBITORS NOVO NORDISK A/S (DK) 2004-11-18 WO claimed
EP-1435957-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES Vertex Pharmaceuticals Incorporated (US) 2004-07-14 EP claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US claimed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP claimed
US-20030125332-A1 Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes VERTEX PHARMACEUTICALS INCORPORATED 2003-07-03 US claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
WO-2002088078-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO claimed

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

For each of this compound's patents that has machine-readable text (9 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-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 BCAT2 1584/4885KDM4E 2319/4885ALDH1A1 603/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 BCAT2 1112/4885KDM4E 4503/4885ALDH1A1 3054/4885
US-10632134-B2 Cannabinoid receptor modulators CNR1, CNR2, GPR18 BCAT2 3219/4885KDM4E 2570/4885ALDH1A1 2571/4885
US-20210060040-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 BCAT2 3219/4885KDM4E 2570/4885ALDH1A1 2571/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 BCAT2 4497/4885KDM4E 4194/4885ALDH1A1 428/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 BCAT2 1108/4885KDM4E 3549/4885ALDH1A1 2909/4885
US-20030125332-A1 Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes GSK3B, GSK3A, GSKIP BCAT2 1623/4885KDM4E 1890/4885ALDH1A1 4801/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 BCAT2 1584/4885KDM4E 2319/4885ALDH1A1 603/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 BCAT2 4497/4885KDM4E 4194/4885ALDH1A1 428/4885

“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.