SCHEMBL3301106

SCHEMBL3301106

CC(C)(C)OC(=O)C1(CN2CCC(C#N)CC2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSK P43235 4/20 0.35
HPGD P15428 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
EPHX1 P07099 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KCNA3 P22001 1/20 0.32
DPP4 P27487 2/20 0.32
CTSS P25774 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
SCHEMBL1971995 0.88 USP2 (0.37) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL3589272 0.81 CYP4F2 (0.34) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL5276929 0.80 CYP2C19 (0.40) HRH3DPP4
SCHEMBL3295941 0.78 MEN1 (0.36) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL3296876 0.76 CTSK (0.35) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL3592215 0.76 CYP4F2 (0.36) CTSKCYP4F2CYP4A11
SCHEMBL3295202 0.74 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL18182125 0.72 CYP4F2 (0.37) CTSKCYP4F2CYP4A11
SCHEMBL2989855 0.71 DRD2 (0.43) KMT2AEPHX1
SCHEMBL3293795 0.70 DRD2 (0.46) 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 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 MEN1 524/4885ALDH1A1 1109/4885MAPT 1910/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 MEN1 524/4885ALDH1A1 1109/4885MAPT 1910/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 MEN1 524/4885ALDH1A1 1109/4885MAPT 1910/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 MEN1 452/4885ALDH1A1 1018/4885MAPT 1535/4885

“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.