SCHEMBL3548333

SCHEMBL3548333

C[C@@H](c1cccc(N2CC[C@@H](NC(=O)C(F)(F)F)C2)c1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.45
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
ACACB O00763 7/20 0.39
CASR P41180 5/20 0.37
SMPD3 Q9NY59 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
SCHEMBL3549591 0.89 ACACB (0.44) NOTUMACACBCASRSMPD3
SCHEMBL3548678 0.81 ACACB (0.38) ACACB
SCHEMBL3554678 0.77 MAPK1 (0.43) NOTUM
SCHEMBL1969010 0.75 MTNR1A (0.67) NOTUMMTNR1AMTNR1BCASRSMPD3
SCHEMBL1969011 0.75 MTNR1A (0.67) NOTUMMTNR1AMTNR1BCASRSMPD3
SCHEMBL19702029 0.72 NOTUM (0.64) NOTUMMTNR1AMTNR1BACACBSMPD3
SCHEMBL1969230 0.68 MTNR1A (0.69) NOTUMMTNR1AMTNR1B
SCHEMBL3552127 0.68 MCHR1 (0.47) NOTUMACACB
SCHEMBL1965717 0.68 MTNR1A (0.69) NOTUMMTNR1AMTNR1B
SCHEMBL23387210 0.67 NOTUM (0.67) NOTUMMTNR1AMTNR1BACACBCASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A NOTUM 3299/4885MTNR1A 1849/4885MTNR1B 2170/4885

“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.