SCHEMBL3296902

SCHEMBL3296902

CC(C)(C)OC(=O)C1(N2CCC(=O)CC2)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
POLB P06746 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HPGD P15428 1/20 0.31
MT-CO2 P00403 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
SCHEMBL3292584 0.98 PPIA (0.33) PPIAGRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL27378855 0.82 PPIA (0.38) PPIAGRIN2BGRIN2CUSP2SMN1; SMN2
SCHEMBL1308841 0.77 PPIA (0.33) PPIAUSP2SMN1; SMN2TSHRPOLB
SCHEMBL3592215 0.75 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL5206583 0.75 ALDH1A1 (0.33) TSHRPOLB
SCHEMBL3293515 0.74 NCF1 (0.34) PPIAOPRM1OPRL1CYP4F2CYP4A11
SCHEMBL3295941 0.74 MEN1 (0.36) USP2SMN1; SMN2OPRM1OPRL1HPGD
SCHEMBL21265902 0.74 SMN1; SMN2 (0.38) SMN1; SMN2OPRM1POLB
SCHEMBL28247545 0.74 HPGD (0.34) PPIAUSP2SMN1; SMN2TSHRPOLB
SCHEMBL17154903 0.74 OPRL1 (0.34) PPIASMN1; SMN2OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 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 (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-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 PPIA 2864/4885GRIN2B 193/4885GRIN2C 392/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 PPIA 2864/4885GRIN2B 193/4885GRIN2C 392/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 PPIA 2864/4885GRIN2B 193/4885GRIN2C 392/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 PPIA 2830/4885GRIN2B 194/4885GRIN2C 357/4885

“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.