SCHEMBL3589272

SCHEMBL3589272

CC(C)(C)OC(=O)C1(CN2CCC(CN)CC2)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
NCF1 P14598 1/20 0.33
HPGD P15428 1/20 0.32
ITGB3 P05106 6/20 0.31
ITGA2B P08514 6/20 0.31
EPHX1 P07099 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL3295202 0.93 CYP4F2 (0.39) CYP4F2CYP4A11NCF1ACACBACACA
SCHEMBL1971581 0.88 USP2 (0.35) CYP4F2CYP4A11NCF1
SCHEMBL1970718 0.84 CYP4F2 (0.40) CYP4F2CYP4A11NCF1MAPTCHRM2
SCHEMBL1968493 0.81 CYP4F2 (0.37) CYP4F2CYP4A11NCF1CHRM2CHRM1
SCHEMBL3301106 0.81 MEN1 (0.37) CYP4F2CYP4A11HPGDEPHX1MEN1
SCHEMBL3296699 0.79 CYP2C19 (0.41) NCF1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL3293515 0.79 NCF1 (0.34) CYP4F2CYP4A11NCF1HPGDITGB3
SCHEMBL3592215 0.77 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL3296238 0.77 NCF1 (0.35) CYP4F2CYP4A11NCF1HPGDEPHX1
SCHEMBL2989855 0.77 DRD2 (0.43) KCNH2CACNA1IEPHX1ACACBACACA

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
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-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 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 (3 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-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 CYP4F2 1097/4885CYP4A11 615/4885KCNH2 340/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 CYP4F2 1097/4885CYP4A11 615/4885KCNH2 340/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 CYP4F2 1184/4885CYP4A11 672/4885KCNH2 335/4885

“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.