SCHEMBL439861

SCHEMBL439861

COC(=O)C1CC1c1ccc(C)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TRPM5 Q9NZQ8 1/20 0.41
IDO1 P14902 3/20 0.41
CHRNA7 P36544 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16977977 1.00 NAMPT (0.45) NAMPTCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL15799018 0.85 NAMPT (0.41) NAMPTCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL17259176 0.85 NAMPT (0.41) NAMPTCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL15799019 0.85 NAMPT (0.41) NAMPTCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL15805103 0.85 NAMPT (0.41) NAMPTCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL3881829 0.84 IDO1 (0.40) IDO1CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL440450 0.83 FFAR1 (0.53) NAMPTCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL30455741 0.83 NAMPT (0.44) NAMPTCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL16977978 0.83 FFAR1 (0.53) NAMPTCYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL18518580 0.83 FFAR1 (0.53) NAMPTCYP3A4ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617251-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-11 US disclosed
US-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-09 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 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 (2 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-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR55, GPR65 NAMPT 1943/4885CYP3A4 1142/4885ALDH1A1 1240/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 NAMPT 1633/4885CYP3A4 1713/4885ALDH1A1 1104/4885

“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.