SCHEMBL3824523

SCHEMBL3824523

Cc1cncnc1C(=O)Nc1ccc(C2=C(C=O)CCN(c3nccs3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 2/20 0.35
ADORA2A P29274 1/20 0.35
CYP2C19 P33261 1/20 0.35
PORCN Q9H237 1/20 0.35
HTT P42858 2/20 0.35
SLC6A7 Q99884 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ABL1 P00519 1/20 0.32
KCNH2 Q12809 1/20 0.32
NTRK1 P04629 1/20 0.32
ROCK2 O75116 1/20 0.32
LIMK1 P53667 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL986981 0.90 TRPV1 (0.44) TRPV1HSD17B10CYP3A4ADORA2ACYP2C19
SCHEMBL14093304 0.84 TRPV1 (0.39) TRPV1CYP3A4PORCNL3MBTL1LMNA
SCHEMBL8232648 0.81 TRPV1 (0.41) TRPV1HSD17B10CYP3A4ADORA2ACYP2C19
SCHEMBL988061 0.79 TRPV1 (0.42) TRPV1HSD17B10HTTSLC6A7HPGD
SCHEMBL989336 0.76 TRPV1 (0.44) TRPV1HSD17B10CYP3A4ADORA2ACYP2C19
SCHEMBL15654193 0.75 TRPV1 (0.38) TRPV1HSD17B10CYP3A4ADORA2ACYP2C19
SCHEMBL3826237 0.75 CYP3A4 (0.53) TRPV1HSD17B10CYP3A4ADORA2ACYP2C19
SCHEMBL1781583 0.74 RAB9A (0.47) TRPV1HSD17B10CYP3A4ADORA2ACYP2C19
SCHEMBL3829813 0.73 TRPV1 (0.44) TRPV1HSD17B10CYP3A4ADORA2ACYP2C19
Hydrochloric Acid SCHEMBL3828415 0.72 TRPV1 (0.44) TRPV1HSD17B10CYP3A4ADORA2ACYP2C19

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
EP-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
EP-2086326-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2009-08-12 EP disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
WO-2008063504-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-05-29 WO disclosed
WO-2008063504-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-05-29 WO 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-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 TRPV1 206/4885HSD17B10 2343/4885CYP3A4 319/4885

“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.