SCHEMBL17384196

SCHEMBL17384196

CC(=O)OCCN(C)c1cc(C(N)=O)c(NC(=O)C2(F)CC2)cn1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 3/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ DGAT1 O75907 1/20 0.30

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
SCHEMBL17376106 0.76 HTT (0.33) MCHR1AURKARPS6KB1DGAT1
SCHEMBL17376260 0.72 ALDH1A1 (0.40) MCHR1RPS6KB1
SCHEMBL25239937 0.57 NNMT (0.49) MCHR1IKBKB
SCHEMBL31140636 0.57 NNMT (0.49) MCHR1IKBKB
SCHEMBL25283472 0.55 SYK (0.39) IKBKB
SCHEMBL30478866 0.55 SYK (0.39) IKBKB
SCHEMBL30260189 0.54 AURKA (0.49) AURKARPS6KB1IKBKBDGAT1
SCHEMBL17261958 0.54 HTT (0.38) MCHR1
SCHEMBL3036233 0.53 RAD52 (0.51) —
SCHEMBL65758 0.53 ALDH1A1 (0.50) —

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-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford Burnham Prebys Medical Discovery Institute 2019-01-24 — — US disclosed
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 — — US disclosed
WO-2015200534-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-30 — — 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 (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-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 NTSR1, NTSR2, VIPR1 FASN 3670/4885MCHR1 27/4885AURKA 3460/4885
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 FASN 3670/4885MCHR1 27/4885AURKA 3460/4885

“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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