SCHEMBL2684769

SCHEMBL2684769

CN(C(=O)O)c1cc(C(F)(F)F)nn1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CNR2 P34972 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35

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
SCHEMBL12506457 0.77 CNR1 (0.44) KDM4ECNR2POLBALDH1A1LMNA
SCHEMBL1849497 0.75 CRHR1 (0.52) CRHR1KDM4ECNR2GAAPOLB
SCHEMBL1849496 0.75 CRHR1 (0.52) CRHR1KDM4ECNR2GAAPOLB
SCHEMBL3786349 0.74 KDM4E (0.41) KDM4EPOLBALDH1A1LMNATSHR
SCHEMBL21780683 0.73 CRHR1 (0.57) CRHR1KDM4EGAAPOLBTGFBR1
SCHEMBL12506476 0.72 TGFBR1 (0.39) KDM4ETGFBR1ALDH1A1
SCHEMBL19105610 0.72 CRHR1 (0.41) CRHR1CNR2GAATGFBR1ALDH1A1
SCHEMBL2686357 0.72 AKR1C3 (0.42) KDM4EALDH1A1
SCHEMBL24758363 0.72 GAA (0.44) CRHR1KDM4ECNR2GAAHTR2C
SCHEMBL2684765 0.72 CRHR1 (0.46) CRHR1CNR2GAAPOLBTGFBR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 101/4885KDM4E 2768/4885CNR2 7/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 CRHR1 115/4885KDM4E 3018/4885CNR2 3/4885

“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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