SCHEMBL3295202

SCHEMBL3295202

CC(C)(C)OC(=O)C1(CN2CCC(CN)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
NCF1 P14598 1/20 0.35
HSD11B1 P28845 1/20 0.34
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
DGAT1 O75907 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
PLG P00747 1/20 0.30
PLAT P00750 1/20 0.30
LMNA P02545 1/20 0.30
P4HB P07237 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
SCHEMBL3589272 0.93 CYP4F2 (0.34) CYP4F2CYP4A11NCF1HSD11B1ACACB
SCHEMBL1971581 0.91 USP2 (0.35) CYP4F2CYP4A11NCF1
SCHEMBL3293795 0.82 DRD2 (0.46) ACACBACACAKDM4EPKM
SCHEMBL1968493 0.79 CYP4F2 (0.37) CYP4F2CYP4A11NCF1CHRM2CHRM1
SCHEMBL1970718 0.79 CYP4F2 (0.40) CYP4F2CYP4A11NCF1CHRM2CHRM1
SCHEMBL1970445 0.77 PLG (0.40) NCF1HSD11B1CHRM2CHRM1CHRM3
SCHEMBL5114260 0.76 HTR4 (0.34) NCF1PKM
SCHEMBL3296238 0.75 NCF1 (0.35) CYP4F2CYP4A11NCF1ACACBACACA
SCHEMBL6217337 0.75 HTR4 (0.41) NCF1ACACBACACACHRM2CHRM1
SCHEMBL3293515 0.74 NCF1 (0.34) CYP4F2CYP4A11NCF1ACACBACACA

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-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277672-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 CYP4F2 1097/4885CYP4A11 615/4885NCF1 2921/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 CYP4F2 1097/4885CYP4A11 615/4885NCF1 2921/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 CYP4F2 1097/4885CYP4A11 615/4885NCF1 2921/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 CYP4F2 1184/4885CYP4A11 672/4885NCF1 2995/4885

“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.