SCHEMBL3823120

SCHEMBL3823120

CCC(Cl)C(=O)Nc1ccc(C2=C(C)CCN(c3nccs3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ PORCN Q9H237 1/20 0.36
▸ SLC6A7 Q99884 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MTOR P42345 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34

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
Hydrochloric Acid SCHEMBL3824636 0.99 TRPV1 (0.40) TRPV1HTTHSD17B10TDP1CYP3A4
SCHEMBL14093265 0.89 TRPV1 (0.43) TRPV1HTTHSD17B10CYP3A4PORCN
Hydrochloric Acid SCHEMBL3823968 0.89 TRPV1 (0.42) TRPV1HTTHSD17B10CYP3A4PORCN
SCHEMBL16472060 0.86 TRPV1 (0.39) TRPV1HTTHSD17B10TDP1CYP3A4
SCHEMBL1781583 0.80 RAB9A (0.47) TRPV1HTTHSD17B10CYP3A4ADORA2A
SCHEMBL3828968 0.79 TRPV1 (0.45) TRPV1HTTHSD17B10CYP3A4
SCHEMBL3826237 0.79 CYP3A4 (0.53) TRPV1HSD17B10TDP1CYP3A4ALDH1A1
SCHEMBL987860 0.77 TRPV1 (0.45) TRPV1HTTHSD17B10MEN1KMT2A
SCHEMBL1781223 0.77 RAB9A (0.47) TRPV1HTTHSD17B10TDP1CYP3A4
SCHEMBL10820464 0.77 TYK2 (0.48) TRPV1HTTHSD17B10CYP3A4ADORA2A

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 8 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-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 206/4885HTT 2560/4885HSD17B10 2343/4885

“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.

Send feedback