SCHEMBL14736726

SCHEMBL14736726

O=C(O)N1CCCC(c2cc(-c3ccc(F)cc3)n[nH]2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
DRD4 P21917 3/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
USP30 Q70CQ3 4/20 0.48
CA12 O43570 1/20 0.47
ALPL P05186 1/20 0.47
RPA1 P27694 1/20 0.47
PRCP P42785 8/20 0.46
KDM5B Q9UGL1 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL14740552 0.84 HTT (0.63) MKNK1MKNK2DRD4DRD2DRD3
SCHEMBL14985509 0.78 MKNK1 (0.76) MKNK1MKNK2DRD4DRD2DRD3
SCHEMBL6169490 0.77 GRM5 (0.45)
SCHEMBL14796966 0.77 CPT1A (0.60) MKNK1MKNK2DRD4DRD2DRD3
SCHEMBL19806143 0.77 MKNK1 (0.82) MKNK1MKNK2DRD4DRD2DRD3
SCHEMBL14686771 0.75 DRD4 (0.69) DRD4DRD2DRD3USP30CA12
SCHEMBL2224640 0.74 TRPV1 (0.55) HTT
SCHEMBL2834580 0.74 USP30 (0.50) DRD4DRD2DRD3USP30
SCHEMBL4099888 0.74 RAB9A (0.57)
SCHEMBL28774040 0.72 KDM2B (0.41) DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP 2013-03-07 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 (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-20130059830-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, ENPEP MKNK1 1365/4885MKNK2 2027/4885DRD4 4740/4885

“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.