SCHEMBL440450

SCHEMBL440450

Cc1ccc(C2CC2C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.53
IDO1 P14902 2/20 0.47
NAMPT P43490 2/20 0.44
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
FFAR4 Q5NUL3 4/20 0.42
HDAC4 P56524 1/20 0.40

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
SCHEMBL18518580 1.00 FFAR1 (0.53) FFAR1IDO1NAMPTCYP3A4ALDH1A1
SCHEMBL16977978 1.00 FFAR1 (0.53) FFAR1IDO1NAMPTCYP3A4ALDH1A1
SCHEMBL18518436 1.00 FFAR1 (0.53) FFAR1IDO1NAMPTCYP3A4ALDH1A1
SCHEMBL30455768 0.87 NAMPT (0.44) FFAR1IDO1NAMPTCYP3A4ALDH1A1
SCHEMBL30455741 0.87 NAMPT (0.44) FFAR1IDO1NAMPTCYP3A4ALDH1A1
SCHEMBL16977977 0.83 NAMPT (0.45) IDO1NAMPTCYP3A4ALDH1A1CYP1A2
SCHEMBL439861 0.83 NAMPT (0.45) IDO1NAMPTCYP3A4ALDH1A1CYP1A2
SCHEMBL25004996 0.81 FFAR1 (0.55) FFAR1ALDH1A1
SCHEMBL30181805 0.81 FFAR1 (0.55) FFAR1ALDH1A1
SCHEMBL23994457 0.81 FFAR1 (0.55) FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017025368-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 WO 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 (1 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-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 FFAR1 49/4885IDO1 301/4885NAMPT 1633/4885

“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.