SCHEMBL261492

SCHEMBL261492

CC(C)(C)c1cn2c3c(cccc13)NC(=O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ OPA1 O60313 1/20 0.34
▸ EIF5B O60841 1/20 0.34
▸ MET P08581 1/20 0.34
▸ HMOX2 P30519 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALOX5 P09917 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32

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
SCHEMBL12580791 0.84 ALDH1A1 (0.37) MAPTALDH1A1HSD17B10
SCHEMBL280499 0.81 HTR2A (0.44) MAPTPARP1OPA1EIF5BMET
SCHEMBL20365440 0.76 HTR2A (0.54) OPA1EIF5BMETHMOX2USP2
SCHEMBL261484 0.75 HTR2A (0.44) MAPTPARP1OPA1EIF5BMET
SCHEMBL261131 0.74 USP2 (0.36) PARP1USP2ALDH1A1HPGDHSD17B10
SCHEMBL25030544 0.70 MEN1 (0.42) OPA1EIF5BMETHMOX2USP2
SCHEMBL19960996 0.69 MCL1 (0.37) PARP1ALDH1A1HTR2AHTR2CGSK3B
SCHEMBL22096079 0.68 HTR2A (0.45) OPA1EIF5BMETHMOX2USP2
SCHEMBL23691134 0.66 HTR2A (0.55) OPA1EIF5BMETHMOX2USP2
SCHEMBL9910072 0.65 NPC1 (0.46) NPC1MAPK13MAPK12MAPK11MAPK14

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 MAPT 2350/4885PARP1 3077/4885OPA1 4260/4885
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 MAPT 2350/4885PARP1 3077/4885OPA1 4260/4885
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 MAPT 3055/4885PARP1 2056/4885OPA1 3408/4885

“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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