SCHEMBL1474477

SCHEMBL1474477

CCOC(=O)C1CC1(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 2/20 0.40
NR1I2 O75469 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
KDM1A O60341 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1474012 0.88 RORC (0.41) ALDH1A1KDM4ERORCNR1I2MAPT
SCHEMBL9820733 0.88 MEN1 (0.45) ALDH1A1RORCNR1I2MAPTPOLB
SCHEMBL23020811 0.84 OPRM1 (0.43) ALDH1A1MAPTPOLBGAAMEN1
SCHEMBL1473939 0.84 POLB (0.47) ALDH1A1POLBKDM1ASMN1; SMN2MEN1
SCHEMBL1474142 0.83 PDE2A (0.35) ALDH1A1KDM4ERORCNR1I2MAPT
SCHEMBL1475660 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ENPSR1MAPTPOLB
SCHEMBL11076947 0.83 ADAM17 (0.47) ALDH1A1KDM4ENPSR1MAPTPOLB
SCHEMBL1475802 0.82 TSHR (0.39) ALDH1A1RORCMAPTTSHRMEN1
SCHEMBL15200618 0.82 OPRM1 (0.45) ALDH1A1NPSR1MAPTGAAATM
SCHEMBL1475756 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1MAPTPOLB

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 5 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
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 ALDH1A1 1314/4885KDM4E 4595/4885NPSR1 116/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 ALDH1A1 1339/4885KDM4E 4651/4885NPSR1 114/4885

“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.