SCHEMBL261453

SCHEMBL261453

Cc1cc2c3c(c1)n(CC=O)c(=O)n3CC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 7/20 0.46
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ C5AR1 P21730 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
SCHEMBL261150 0.79 CALCRL (0.45) CALCRLKMT2AALDH1A1
SCHEMBL261544 0.78 CALCRL (0.32) CALCRL
SCHEMBL261526 0.77 KMT2A (0.35) CALCRLKMT2ASMN1; SMN2
SCHEMBL13282082 0.77 KMT2A (0.35) CALCRLKMT2ASMN1; SMN2
SCHEMBL261520 0.74 CALCRL (0.46) CALCRLKMT2ASMN1; SMN2C5AR1
SCHEMBL12429958 0.74 KMT2A (0.32) CALCRLKMT2ASMN1; SMN2
SCHEMBL261152 0.70 CALCRL (0.35) CALCRL
SCHEMBL261480 0.69 AHR (0.31) —
SCHEMBL261482 0.69 KDM4E (0.31) —
SCHEMBL14518255 0.68 KMT2A (0.57) CALCRLKMT2ASMN1; SMN2C5AR1

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 11 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-7750010-B2 Tricyclic anilide spirohydantion CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-07-06 — — US disclosed
US-7750010-B2 Tricyclic anilide spirohydantion CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-07-06 — — 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
EP-1793827-B1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-04-07 — — EP disclosed
US-20090221535-A1 IMMUNOGENIC COMPOSITIONS FOR GRAM POSITIVE BACTERIA SUCH AS STREPTOCOCCUS AGALACTIAE MERCK SHARP & DOHME LLC 2009-09-03 — — US disclosed
US-20090221535-A1 IMMUNOGENIC COMPOSITIONS FOR GRAM POSITIVE BACTERIA SUCH AS STREPTOCOCCUS AGALACTIAE MERCK SHARP & DOHME LLC 2009-09-03 — — 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 (3 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 CALCRL 2/4885KMT2A 2891/4885SMN1; SMN2 4504/4885
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885KMT2A 2891/4885SMN1; SMN2 4504/4885
US-20090221535-A1 IMMUNOGENIC COMPOSITIONS FOR GRAM POSITIVE BACTERIA SUCH AS STREPTOCOCCUS AGALACTIAE C1R, CALCB, MRGPRX2 CALCRL 7/4885KMT2A 4485/4885SMN1; SMN2 4505/4885

“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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