SCHEMBL3552127

SCHEMBL3552127

C[C@@H](c1ccc(N2CC[C@@H](N(C)C)C2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.47
RORC P51449 3/20 0.46
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ACACB O00763 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL2427683 0.79 RORC (0.46) RORC
SCHEMBL3555656 0.79 ADRA2A (0.40) RORC
SCHEMBL3549591 0.78 ACACB (0.44) HRH4HRH3ACACBNOTUM
SCHEMBL14923971 0.78 RORC (0.47) MCHR1RORCHRH3ACACB
SCHEMBL1665871 0.75 MCHR1 (0.62) MCHR1RORC
SCHEMBL4578849 0.75 MCHR1 (0.62) MCHR1RORC
SCHEMBL3555287 0.75 CHKA (0.46) RORC
SCHEMBL3554859 0.74 MAPK1 (0.44) RORC
SCHEMBL20490615 0.73 MCHR1 (0.54) MCHR1RORC
SCHEMBL3548678 0.72 ACACB (0.38) ACACB

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 MCHR1 3389/4885RORC 2839/4885HRH4 1215/4885

“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.