SCHEMBL6177616

SCHEMBL6177616

O=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 17/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRL1 P41146 1/20 0.44
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43

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
SCHEMBL24155678 0.84 DDB1 (0.59) LIPEPOLBL3MBTL1OPRL1PIM1
SCHEMBL11153020 0.84 ALDH1A1 (0.40) LIPEPOLBL3MBTL1OPRL1
SCHEMBL3401516 0.80 ALDH1A1 (0.46) LIPEPOLBL3MBTL1OPRL1PIM1
SCHEMBL10623305 0.78 RAB9A (0.57) POLB
SCHEMBL22043771 0.78 DDB1 (0.51) LIPE
SCHEMBL1421342 0.75 DDB1 (0.46) POLB
SCHEMBL1257933 0.75 POLB (0.43) LIPEPOLBL3MBTL1OPRL1
SCHEMBL15576793 0.74 LIPE (0.51) LIPEPOLBL3MBTL1OPRL1
SCHEMBL20956958 0.74 LIPE (0.49) LIPEPOLBL3MBTL1OPRL1
SCHEMBL10614477 0.74 ALDH1A1 (0.62) POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 LIPE 3540/4885POLB 2624/4885L3MBTL1 2685/4885

“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.