SCHEMBL2686133

SCHEMBL2686133

NCc1cc(C(F)(F)F)nn1CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.39
▸ GRM2 Q14416 3/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ MAP3K13 O43283 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ MAP3K9 P80192 1/20 0.32
▸ MAP3K10 Q02779 1/20 0.32
▸ DMPK Q09013 1/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ EPHA7 Q15375 1/20 0.32
▸ KLKB1 P03952 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
SCHEMBL21780683 0.78 CRHR1 (0.57) CRHR1GRM2TGFBR1GAASLC34A1
SCHEMBL21768453 0.78 GRM2 (0.46) CRHR1GRM2TGFBR1CNR2GAA
SCHEMBL2684765 0.76 CRHR1 (0.46) CRHR1TGFBR1CNR2GAA
SCHEMBL1847258 0.75 CRHR1 (0.52) CRHR1TGFBR1GAAAXL
SCHEMBL1847257 0.75 CRHR1 (0.52) CRHR1TGFBR1GAAAXL
SCHEMBL19105610 0.74 CRHR1 (0.41) CRHR1GRM2TGFBR1CNR2GAA
SCHEMBL4559955 0.74 CRHR1 (0.41) CRHR1GRM2TGFBR1CNR2GAA
SCHEMBL24007879 0.72 SLC2A1 (0.43) CRHR1GRM2TGFBR1CNR2MAP3K13
SCHEMBL25370431 0.72 CRHR1 (0.42) CRHR1GRM2TGFBR1CNR2GAA
SCHEMBL19145406 0.72 CRHR1 (0.36) CRHR1TGFBR1GAAMAP3K13NTRK1

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
WO-2012062463-A1 SUBSTITUTED BICYCLIC 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
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
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 101/4885GRM2 536/4885TGFBR1 2427/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 CRHR1 115/4885GRM2 529/4885TGFBR1 2307/4885

“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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