SCHEMBL3246753

SCHEMBL3246753

N[C@@H]1CCCCN(Cc2ccc(O)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL5637648 0.85 ALDH1A1 (0.49) KCNH2
SCHEMBL3245339 0.85 L3MBTL1 (0.54) —
SCHEMBL3618774 0.85 L3MBTL1 (0.54) —
SCHEMBL3245199 0.85 L3MBTL1 (0.54) —
Hydrochloric Acid SCHEMBL12494266 0.84 L3MBTL1 (0.53) —
Hydrochloric Acid SCHEMBL12494265 0.84 L3MBTL1 (0.53) —
SCHEMBL12527918 0.84 L3MBTL1 (0.56) —
SCHEMBL3239992 0.83 NPY1R (0.42) —
SCHEMBL5220521 0.83 SRC (0.50) —
SCHEMBL5642085 0.82 MEN1 (0.42) —

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
EP-1615914-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 — — EP disclosed
US-7205292-B2 Piperidines containing a lactam ring and a quinolinone, benzimidazolone, quinazolinone or benzodiazepinone group, e.g. N-[3R,7R)-1-(Cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3 (2H-yl)piperidine-1-carboxamide; treating headaches, migraine headaches and cluster headaches MERCK & CO., INC. (US) 2007-04-17 — — US disclosed
US-20060194783-A1 Cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-08-31 — — 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-20060194783-A1 Cgrp receptor antagonists BDKRB1, CCKBR, BDKRB2 KCNH2 156/4885

“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.

Send feedback