SCHEMBL261484

SCHEMBL261484

O=CCc1cn2c3c(cccc13)NC(=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MTNR1A P48039 7/20 0.39
▸ MTNR1B P49286 7/20 0.39
▸ PARP1 P09874 3/20 0.38
▸ MAPT P10636 1/20 0.35
▸ OPA1 O60313 1/20 0.35
▸ EIF5B O60841 1/20 0.35
▸ MET P08581 1/20 0.35
▸ HMOX2 P30519 1/20 0.35
▸ NPC1 O15118 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL280499 0.86 HTR2A (0.44) HTR2AHTR2CMTNR1AMTNR1BPARP1
SCHEMBL261492 0.75 MAPT (0.37) HTR2AHTR2CMTNR1AMTNR1BPARP1
SCHEMBL261562 0.75 HTR2A (0.43) HTR2AHTR2CMTNR1AMTNR1BPARP1
SCHEMBL427050 0.67 NPC1 (0.43) HTR2AMAPTNPC1MAPK13MAPK12
SCHEMBL15024522 0.66 HTR2A (0.69) HTR2AHTR2CMTNR1AMTNR1BOPA1
SCHEMBL261416 0.66 ABCB1 (0.39) PARP1MAPTNPC1
SCHEMBL261475 0.66 CALCRL (0.47) HTR2AMAPTNPC1MAPK13MAPK12
SCHEMBL27565154 0.64 HTR2A (0.64) HTR2AHTR2CMTNR1AMTNR1BOPA1
SCHEMBL260826 0.64 PARP1 (0.36) PARP1MAPTNPC1
SCHEMBL12628017 0.62 MAPT (0.42) MAPTNPC1MAPK13MAPK12MAPK11

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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