SCHEMBL836954

SCHEMBL836954

Nc1cccc2c1CC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.48
PDK2 Q15119 1/20 0.48
DRD2 P14416 4/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
OPRM1 P35372 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
HTR2A P28223 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL10710490 0.84 CCNB2 (0.48) AHRPDK2DRD2DRD4DRD3
SCHEMBL3212830 0.82 NPC1 (0.50) AHRPDK2HTR1AOPRK1PARP1
SCHEMBL22904534 0.77 PARP1 (0.54) CYP3A4CYP2C9APEX1BLMCCNB2
SCHEMBL624585 0.76 CCNB2 (0.54) AHRPDK2DRD2DRD4DRD3
SCHEMBL261277 0.76 AHR (0.48) AHRPDK2DRD2DRD4DRD3
SCHEMBL12326143 0.76 AHR (0.48) AHRPDK2DRD2DRD4DRD3
SCHEMBL152281 0.76 CCNB2 (0.54) AHRPDK2DRD2DRD4DRD3
SCHEMBL2511443 0.76 TDP2 (0.53) AHRPDK2DRD2DRD4DRD3
SCHEMBL3340538 0.76 AHR (0.48) AHRPDK2DRD2DRD4DRD3
SCHEMBL19938 0.76 CDK5 (0.54) AHRPDK2DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
US-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2023-08-17 US disclosed
WO-2017098421-A1 BENZOTHIADIAZINE COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 WO disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
EP-3093289-A1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR Amgen, Inc (US) 2016-11-16 EP disclosed
EP-2838531-B1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ANNJI PHARM CO LTD (CN) 2016-09-21 EP disclosed
EP-2081931-B1 [1,2,4]Triazolo[4,3-a]pyridine derivatives useful as inhibitors of the hepatocyte growth factor receptor AMGEN INC (US) 2016-08-31 EP disclosed
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
EP-0944621-B1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2004-09-01 EP disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
CN-1434827-A Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
US-6395764-B1 NOSAL DECONGESTION, RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
US-6162818-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US disclosed
EP-0944621-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023610-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 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 (4 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-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE MUSK, ERBB2, NTRK1 AHR 2302/4885PDK2 1262/4885DRD2 4644/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 AHR 777/4885PDK2 76/4885DRD2 256/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 AHR 3898/4885PDK2 444/4885DRD2 3437/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 AHR 473/4885PDK2 2599/4885DRD2 430/4885

“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.