SCHEMBL261495

SCHEMBL261495

CN1C(=O)CCCC2CN(CC=O)c3cccc1c32

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ KCNE1 P15382 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ KCNQ1 P51787 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ TRIM24 O15164 1/20 0.31
▸ CALCRL Q16602 1/20 0.31

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
SCHEMBL261549 0.85 CALCRL (0.40) CHRM3CALCRL
SCHEMBL259917 0.82 CALCRL (0.38) HCRTR1HCRTR2CALCRL
SCHEMBL13379083 0.78 CALCRL (0.44) CALCRL
SCHEMBL261153 0.72 CALCRL (0.43) CALCRL
SCHEMBL260066 0.70 TRPV1 (0.34) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL12580778 0.69 BRPF1 (0.43) HCRTR1HCRTR2
SCHEMBL280579 0.67 CALCRL (0.45) DRD3CALCRL
SCHEMBL261540 0.63 CALCRL (0.47) ADRA1ADRD3CALCRL
SCHEMBL1821562 0.63 BRD4 (0.39) HCRTR1HCRTR2
SCHEMBL12013899 0.63 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133891-B2 Tricyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-03-13 — — US disclosed
US-8133891-B2 Tricyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-03-13 — — US disclosed
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
US-7696192-B2 Tricyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-04-13 — — US disclosed
US-7696192-B2 Tricyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-04-13 — — US disclosed
US-20080214511-A1 Tricyclic Anilide Spirolactam Cgrp Receptor Antagonists MERCK & CO., INC. (US) 2008-09-04 — — US disclosed
US-20080214511-A1 Tricyclic Anilide Spirolactam Cgrp Receptor Antagonists MERCK & CO., INC. (US) 2008-09-04 — — 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 (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-20080214511-A1 Tricyclic Anilide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 HCRTR1 135/4885HCRTR2 136/4885HTR3B 226/4885
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 HCRTR1 135/4885HCRTR2 136/4885HTR3B 226/4885

“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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