SCHEMBL261562

SCHEMBL261562

CN1C(=O)CCCn2cc(CC=O)c3cccc1c32

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ MTNR1A P48039 6/20 0.41
▸ MTNR1B P49286 6/20 0.41
▸ PARP1 P09874 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL10225207 0.88 HTR2A (0.44) HTR2AHTR2CMTNR1AMTNR1BPARP1
SCHEMBL261131 0.77 USP2 (0.36) HTR2AHTR2CMTNR1AMTNR1BPARP1
SCHEMBL261484 0.75 HTR2A (0.44) HTR2AHTR2CMTNR1AMTNR1BPARP1
SCHEMBL10068664 0.70 HTR1A (0.45) HTR2AHTR2CBRD4KMT2A
SCHEMBL15024522 0.68 HTR2A (0.69) HTR2AHTR2CMTNR1AMTNR1BUSP2
SCHEMBL5388944 0.68 BRD4 (0.44) USP2ALDH1A1HPGDHSD17B10BRD4
SCHEMBL261540 0.68 CALCRL (0.47) HTR2AADRA1DADRA1AADRA1B
SCHEMBL14862539 0.65 APOBEC3A (0.44) PARP1ALDH1A1HSD17B10KMT2A
SCHEMBL31355107 0.64 CYP11B2 (0.38) PARP1ADRA1DADRA1AADRA1BBRD4
SCHEMBL12450045 0.64 HTR2A (0.74) HTR2AHTR2CMTNR1AMTNR1BUSP2

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 HTR2A 192/4885HTR2C 421/4885MTNR1A 205/4885
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 HTR2A 192/4885HTR2C 421/4885MTNR1A 205/4885

“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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