SCHEMBL3379327

SCHEMBL3379327

NC(=O)N1CCC2(CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CYP1A2 P05177 2/20 0.38
USP2 O75604 2/20 0.38
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 7/20 0.38
GRM5 P41594 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SPR P35270 1/20 0.35

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
SCHEMBL1374546 0.98 CTSB (0.41) CTSBCTSSCTSKCYP1A2USP2
SCHEMBL2342446 0.95 CYP1A2 (0.38) CTSBCTSSCTSKCYP1A2USP2
SCHEMBL24799287 0.90 GAA (0.38) CYP1A2USP2CYP2C9CYP2D6CYP2C19
SCHEMBL22634389 0.86 HSD11B1 (0.46) USP2HSD11B1GRM5SPR
SCHEMBL22158154 0.85 HSD11B1 (0.49) USP2HSD11B1GRM5SPR
SCHEMBL22158069 0.82 SPR (0.47) USP2HSD11B1GRM5SPR
SCHEMBL31706681 0.82 CYP1A2 (0.46) CYP1A2USP2CYP2C9CYP2D6CYP2C19
SCHEMBL5431079 0.80 CYP1A2 (0.54) CYP1A2USP2CYP2D6CYP2C19ALDH1A1
SCHEMBL31706997 0.78 HSD17B10 (0.48) CYP1A2USP2CYP2C9CYP2D6CYP2C19
SCHEMBL31706766 0.78 USP2 (0.66) CYP1A2USP2CYP2C9CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP claimed
US-20240279338-A1 Combination Treatment of Cancer ARES TRADING SA (CH) 2024-08-22 US disclosed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP disclosed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO disclosed
WO-2010058318-A1 1-OXA-8-AZASPIRO [4, 5 ] DECANE- 8 -CARBOXAMIDE COMPOUNDS AS FAAH INHIBITORS PFIZER INC. (US) 2010-05-27 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-20240279338-A1 Combination Treatment of Cancer CD274, PDCD1, ENTPD1 CTSB 1429/4885CTSS 3055/4885CTSK 2370/4885

“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.