SCHEMBL261002

SCHEMBL261002

CC1CCCN1OC(=O)C=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL27929797 0.79 ACHE (0.34) GAAHPGDRECQLHRH3
SCHEMBL489224 0.76 LMNA (0.34) GAAHPGDRECQLHRH3
SCHEMBL6392087 0.76 LMNA (0.34) GAAHPGDRECQLHRH3
SCHEMBL120892 0.76 LMNA (0.34) GAAHPGDRECQLHRH3
SCHEMBL27892417 0.74 ENO1 (0.34) GAAHPGDRECQLHRH3
SCHEMBL27517307 0.73 HPGD (0.41) GAAHPGDRECQL
SCHEMBL28780419 0.73 POLB (0.33) GAAHPGDRECQLHRH3
SCHEMBL8455130 0.71 HPGD (0.36) HPGDHRH3
SCHEMBL489632 0.70 GAA (0.39) GAAHPGDRECQL
SCHEMBL2807972 0.70 TSHR (0.35) HRH3

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-8133891-B2 Tricyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-03-13 US disclosed
US-7968540-B2 Spirohydantoin tricyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-06-28 US disclosed
US-7947677-B2 Spirolactam tricyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-24 US disclosed
US-7750010-B2 Tricyclic anilide spirohydantion CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-07-06 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-7696192-B2 Tricyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
US-20090281080-A1 Spirohydantoin Tricyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-11-12 US disclosed
US-20090221535-A1 IMMUNOGENIC COMPOSITIONS FOR GRAM POSITIVE BACTERIA SUCH AS STREPTOCOCCUS AGALACTIAE MERCK SHARP & DOHME LLC 2009-09-03 US disclosed
US-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-04-23 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 (6 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 GAA 3809/4885HPGD 692/4885RECQL 1008/4885
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 GAA 3809/4885HPGD 692/4885RECQL 1008/4885
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 GAA 2768/4885HPGD 502/4885RECQL 756/4885
US-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists BDKRB1, CALCRL, BDKRB2 GAA 3125/4885HPGD 529/4885RECQL 600/4885
US-20090281080-A1 Spirohydantoin Tricyclic CGRP Receptor Antagonists BDKRB1, BDKRB2, CCKBR GAA 3522/4885HPGD 384/4885RECQL 375/4885
US-20090221535-A1 IMMUNOGENIC COMPOSITIONS FOR GRAM POSITIVE BACTERIA SUCH AS STREPTOCOCCUS AGALACTIAE C1R, CALCB, MRGPRX2 GAA 1576/4885HPGD 1480/4885RECQL 532/4885

“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.