SCHEMBL2684765

SCHEMBL2684765

O=C(O)NCc1cc(C(F)(F)F)nn1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 5/20 0.46
▸ POLB P06746 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37

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
SCHEMBL6818990 0.83 DRD2 (0.42) CRHR1POLBLMNATP53L3MBTL1
SCHEMBL2686133 0.76 CRHR1 (0.39) CRHR1GAACNR2TGFBR1
SCHEMBL12506456 0.76 LMNA (0.48) POLBTSHRLMNATP53L3MBTL1
SCHEMBL3628802 0.75 POLB (0.42) POLBTSHRLMNATP53L3MBTL1
SCHEMBL14658671 0.74 TRPV1 (0.42) CRHR1TGFBR1
SCHEMBL12506474 0.74 TRPV1 (0.44) POLBTSHRTGFBR1
SCHEMBL2688159 0.74 TRPV1 (0.50) CRHR1
SCHEMBL21780683 0.73 CRHR1 (0.57) CRHR1POLBTSHRLMNAGAA
SCHEMBL2684760 0.73 TRPV1 (0.46) —
SCHEMBL24758363 0.72 GAA (0.44) CRHR1GAACNR2

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-2638015-A1 SUBSTITUTED BICYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-09-18 — — EP disclosed
EP-2638034-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-09-18 — — EP disclosed
WO-2012062463-A1 SUBSTITUTED BICYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 — — WO disclosed
WO-2012062462-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 — — WO disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 — — US disclosed
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 — — 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-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 CRHR1 101/4885POLB 4344/4885TSHR 1352/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 CRHR1 115/4885POLB 4082/4885TSHR 1552/4885

“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.

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