SCHEMBL1971995

SCHEMBL1971995

CC(C)(C)OC(=O)C1(CN2CCC(C#N)CC2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.36
CTSD P07339 2/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CTSK P43235 3/20 0.32
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNA3 P22001 1/20 0.31

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
SCHEMBL3301106 0.88 MEN1 (0.37) CTSSCYP4F2CYP4A11CTSKDPP4
SCHEMBL1971581 0.82 USP2 (0.35) USP2SMN1; SMN2RECQLCYP4F2CYP4A11
SCHEMBL1969361 0.81 DPP4 (0.35) DPP4ALDH1A1
SCHEMBL1975183 0.78 USP2 (0.37) USP2SMN1; SMN2RECQLCTSDCTSL
SCHEMBL1973209 0.73 DRD2 (0.41) KMT2A
SCHEMBL3296876 0.72 CTSK (0.35) USP2SMN1; SMN2RECQLCTSKDPP4
SCHEMBL3295202 0.72 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL3295941 0.71 MEN1 (0.36) USP2SMN1; SMN2RECQLCTSSCTSK
SCHEMBL3589272 0.69 CYP4F2 (0.34) CYP4F2CYP4A11MEN1ALDH1A1MAPT
SCHEMBL1970171 0.69 DRD2 (0.42) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856110-B1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2011-06-22 EP disclosed
US-20100173925-A1 OXYINDOLE DERIVATIVES PFIZER INC 2010-07-08 US disclosed
US-7737163-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-06-15 US disclosed
US-7705020-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-04-27 US disclosed
US-7595329-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC (US) 2009-09-29 US disclosed
US-7589109-B2 Oxyindole derivatives PFIZER INC (US) 2009-09-15 US disclosed
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 US disclosed
US-20060194842-A1 Oxyindole derivatives PFIZER INC. 2006-08-31 US disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives PFIZER JAPAN INC. (JP) 2005-12-15 US 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 (6 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-20100173925-A1 OXYINDOLE DERIVATIVES HTR4, HTR5A, HRH4 USP2 4396/4885SMN1; SMN2 326/4885RECQL 1312/4885
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 USP2 4626/4885SMN1; SMN2 512/4885RECQL 1197/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 USP2 4626/4885SMN1; SMN2 512/4885RECQL 1197/4885
US-20060194842-A1 Oxyindole derivatives HTR4, HTR5A, HRH4 USP2 4396/4885SMN1; SMN2 326/4885RECQL 1312/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 USP2 4626/4885SMN1; SMN2 512/4885RECQL 1197/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 USP2 4563/4885SMN1; SMN2 404/4885RECQL 1190/4885

“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.