SCHEMBL3296238

SCHEMBL3296238

CC(C)(C)OC(=O)C1(N2CCC(CN)CC2)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.35
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HPGD P15428 1/20 0.31
PPIA P62937 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
OPRL1 P41146 2/20 0.30
OPRD1 P41143 1/20 0.30
KDM1A O60341 1/20 0.30
PLG P00747 1/20 0.30
PLAT P00750 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
EPHX1 P07099 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
SCHEMBL3293515 0.99 NCF1 (0.34) NCF1CHRM2CHRM1CHRM3ACACB
SCHEMBL27378855 0.78 PPIA (0.38) CYP4F2CYP4A11HPGDPPIARECQL
SCHEMBL3296876 0.78 CTSK (0.35) HPGDOPRL1OPRD1RECQLEPHX1
SCHEMBL3589272 0.77 CYP4F2 (0.34) NCF1CHRM2CHRM1CHRM3ACACB
SCHEMBL5206496 0.77 LMNA (0.40) NCF1CHRM2CHRM1CHRM3KDM1A
SCHEMBL3295941 0.77 MEN1 (0.36) HPGDOPRL1OPRD1RECQLEPHX1
SCHEMBL3295202 0.75 CYP4F2 (0.39) NCF1CHRM2CHRM1CHRM3ACACB
SCHEMBL3292584 0.74 PPIA (0.33) CYP4F2CYP4A11PPIA
SCHEMBL1971581 0.73 USP2 (0.35) NCF1CYP4F2CYP4A11RECQL
SCHEMBL3296902 0.72 PPIA (0.32) CYP4F2CYP4A11HPGDPPIAOPRL1

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 NCF1 2921/4885CHRM2 15/4885CHRM1 7/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 NCF1 2921/4885CHRM2 15/4885CHRM1 7/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 NCF1 2921/4885CHRM2 15/4885CHRM1 7/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 NCF1 2995/4885CHRM2 36/4885CHRM1 20/4885

“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.