SCHEMBL12050596

SCHEMBL12050596

CC(C)N(C(=O)C(C)(C)C)C1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.37
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.33
FDPS P14324 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 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
SCHEMBL27972501 0.80 ADH1B (0.35) ADH1BADH1CADH1ATRPM8TSHR
SCHEMBL11532323 0.78 ADH1C (0.45) ADH1BADH1CADH1ATRPM8TSHR
SCHEMBL14666763 0.77 ADH1B (0.38) ADH1BADH1CADH1ATRPM8TSHR
SCHEMBL7786929 0.76 ADH1C (0.44) ADH1BADH1CADH1ATRPM8TSHR
SCHEMBL27490903 0.76 ADH1A (0.48) ADH1BADH1CADH1ATRPM8TSHR
SCHEMBL9462834 0.75 ADH1B (0.42) ADH1BADH1CADH1ATRPM8TSHR
SCHEMBL22300286 0.75 HSD11B1 (0.41) ADH1CADH1ATRPM8TSHRS1PR1
SCHEMBL23840977 0.75 PIK3CD (0.34)
SCHEMBL25097545 0.74 DPP4 (0.33)
SCHEMBL23872425 0.74 DPP4 (0.33)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 US disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 US disclosed
US-7851464-B2 Spirolactam aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-12-14 US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 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-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL ADH1B 1112/4885ADH1C 710/4885ADH1A 587/4885
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists CALCRL, BDKRB1, CALCR ADH1B 1197/4885ADH1C 610/4885ADH1A 685/4885

“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.