SCHEMBL1476708

SCHEMBL1476708

CC(C)(C)c1ccc(C2CC2C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.49
HRH3 Q9Y5N1 2/20 0.44
CHRNA7 P36544 1/20 0.41
CYP3A4 P08684 2/20 0.41
NAMPT P43490 1/20 0.41
FFAR4 Q5NUL3 3/20 0.40
IDO1 P14902 1/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36

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
SCHEMBL18529756 0.87 HRH3 (0.44) FFAR1HRH3CHRNA7CYP3A4NAMPT
SCHEMBL451176 0.85 HRH3 (0.59) FFAR1HRH3CYP3A4NAMPTIDO1
SCHEMBL15314478 0.85 HRH3 (0.59) FFAR1HRH3CYP3A4NAMPTIDO1
SCHEMBL451175 0.85 HRH3 (0.59) FFAR1HRH3CYP3A4NAMPTIDO1
SCHEMBL12128175 0.85 HRH3 (0.59) FFAR1HRH3CYP3A4NAMPTIDO1
SCHEMBL1473448 0.81 HRH3 (0.40) FFAR1HRH3CHRNA7CYP3A4NAMPT
SCHEMBL16977978 0.80 FFAR1 (0.53) FFAR1CYP3A4NAMPTFFAR4IDO1
SCHEMBL18518580 0.80 FFAR1 (0.53) FFAR1CYP3A4NAMPTFFAR4IDO1
SCHEMBL440450 0.80 FFAR1 (0.53) FFAR1CYP3A4NAMPTFFAR4IDO1
SCHEMBL18518436 0.80 FFAR1 (0.53) FFAR1CYP3A4NAMPTFFAR4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
CN-101160285-A Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as vr1 receptor antagonists PFIZER (US) 2008-04-09 CN disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 FFAR1 21/4885HRH3 58/4885CHRNA7 202/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 FFAR1 21/4885HRH3 58/4885CHRNA7 198/4885

“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.