SCHEMBL261131

SCHEMBL261131

CN1C(=O)CCCn2cc(C(C)(C)C)c3cccc1c32

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ ADRA1B P35368 2/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ PER2 O15055 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 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
SCHEMBL10225207 0.81 HTR2A (0.44) USP2ALDH1A1HPGDHSD17B10BRD4
SCHEMBL261562 0.77 HTR2A (0.43) USP2ALDH1A1HPGDHSD17B10BRD4
SCHEMBL20365440 0.76 HTR2A (0.54) USP2ALDH1A1HPGDHSD17B10HTR2A
SCHEMBL261492 0.74 MAPT (0.37) USP2ALDH1A1HPGDHSD17B10HTR2A
SCHEMBL19960996 0.71 MCL1 (0.37) ALDH1A1HTR2AHTR2CPARP1
SCHEMBL25030544 0.70 MEN1 (0.42) USP2ALDH1A1HPGDHSD17B10ADRA1B
SCHEMBL22096079 0.68 HTR2A (0.45) USP2ALDH1A1HPGDHSD17B10HTR2A
SCHEMBL15086480 0.67 TRPV1 (0.38) BRD4MEN1KMT2A
SCHEMBL19937828 0.67 RBP4 (0.44) ALDH1A1HPGDHSD17B10MEN1LMNA
SCHEMBL31355107 0.67 CYP11B2 (0.38) BRD4ADRA1BADRA1DADRA1APARP1

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-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-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-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 USP2 3959/4885ALDH1A1 1122/4885HPGD 692/4885
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 USP2 3959/4885ALDH1A1 1122/4885HPGD 692/4885
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 USP2 4135/4885ALDH1A1 1622/4885HPGD 502/4885

“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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