SCHEMBL1762490

SCHEMBL1762490

O=C(c1ccccc1)N1CCCC12CCNC2=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.43
SIGMAR1 Q99720 1/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 1/20 0.42
DDB1 Q16531 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
SLC6A9 P48067 1/20 0.39
NAMPT P43490 2/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL23009686 0.82 CRBN (0.40) CRBNSIGMAR1DDB1NPSR1HPGD
SCHEMBL30310728 0.81 GRIN1 (0.36) GRIN1GRIN2AGRIN2BHSD17B10OPRM1
SCHEMBL8523550 0.81 GRIN1 (0.36) GRIN1GRIN2AGRIN2BHSD17B10OPRM1
SCHEMBL13543073 0.79 HSD17B10 (0.57) CRBNSIGMAR1DDB1HSD17B10NAMPT
SCHEMBL16751001 0.76 GRIN1 (0.32) GRIN1GRIN2AGRIN2B
SCHEMBL21225273 0.74 GRIN1 (0.38) GRIN1GRIN2AGRIN2BHSD17B10OPRM1
SCHEMBL19852917 0.72 JAK3 (0.34) GRIN1GRIN2AGRIN2BHSD17B10OPRM1
SCHEMBL19852924 0.72 DRD2 (0.31) GRIN1GRIN2AGRIN2B
SCHEMBL24339081 0.72 GRIN1 (0.30) GRIN1GRIN2AGRIN2B
SCHEMBL22213479 0.72 OPRK1 (0.45) CRBNDDB1NPSR1MAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333627-B Substituted 2-hydro-pyrazole derivatives as anticancer agents 正大天晴药业集团股份有限公司 2024-09-13 CN disclosed
EP-3269715-B1 SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2020-05-13 EP disclosed
US-9969719-B2 Substituted 2-hydrogen-pyrazole derivative serving as anticancer drug CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-05-15 US disclosed
US-9969719-B2 Substituted 2-hydrogen-pyrazole derivative serving as anticancer drug CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-05-15 US disclosed
US-20180072707-A1 SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-03-15 US disclosed
US-20180072707-A1 SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-03-15 US disclosed
WO-2016141881-A1 SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG 南京明德新药研发股份有限公司 2016-09-15 WO disclosed
US-20110118239-A1 PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIRO[4.4]NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS TARGACEPT, INC. (US) 2011-05-19 US disclosed
EP-2242364-A1 PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIROÝ4.4¨NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS Targacept Inc. (US) 2010-10-27 EP disclosed
WO-2009091561-A1 PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIRO[4.4] NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS TARGACEPT, INC. (US) 2009-07-23 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 (1 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-20180072707-A1 SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG CDK4, CDK6, CDK3 CRBN 732/4885SIGMAR1 4447/4885GRIN1 3606/4885

“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.