SCHEMBL261436

SCHEMBL261436

COc1ccc2[nH]c(=O)n3c2c1NC(=O)C3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.35
▸ PRMT1 Q99873 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ HTR1A P08908 8/20 0.32
▸ DRD2 P14416 5/20 0.32
▸ DRD3 P35462 5/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 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
SCHEMBL13253749 0.81 DAO (0.37) HTR1ADRD2DRD3
SCHEMBL12580792 0.78 AHR (0.36) HTR1ADRD2DRD3KMT2A
SCHEMBL31276276 0.70 ALDH1A1 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL280575 0.69 DAO (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31276429 0.68 HTR1A (0.43) HTR1ADRD2DRD3
SCHEMBL31276078 0.68 ALDH1A1 (0.33) PRMT1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12580787 0.67 HTR1A (0.33) HTR1ADRD2DRD3
SCHEMBL23832583 0.64 CSNK2A2 (0.42) PRMT1ALDH1A1HPGDLMNATP53
SCHEMBL14992295 0.64 DAO (0.41) PRMT1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL261447 0.63 MMP12 (0.36) ALDH1A1HSD17B10DRD2DRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163752-B2 Tricyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-04-24 — — US disclosed
US-8163752-B2 Tricyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-04-24 — — US disclosed
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-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-03 — — US disclosed
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-03 — — 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 (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 GSK3B 1152/4885PRMT1 2768/4885KDM4E 3988/4885
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 GSK3B 1152/4885PRMT1 2768/4885KDM4E 3988/4885
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 GSK3B 2720/4885PRMT1 950/4885KDM4E 3595/4885

“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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