SCHEMBL5166740

SCHEMBL5166740

COc1ccc(CCC#Cc2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
F2RL1 P55085 1/20 0.34
CALM1 P0DP23 2/20 0.33
MAOB P27338 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
AOC3 Q16853 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
NR1D1 P20393 1/20 0.32
CASR P41180 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 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
SCHEMBL386263 0.94 CALM1 (0.36) TAAR1F2RL1CALM1TRPV1
Hydrochloric Acid SCHEMBL5166830 0.93 CALM1 (0.36) TAAR1F2RL1CALM1MAOBTRPV1
SCHEMBL5168144 0.89 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL5166257 0.89 HDAC4 (0.37) CALM1MEN1KMT2AATMTRPV1
SCHEMBL5167538 0.88 DPP4 (0.36) MEN1KMT2AATMS1PR1S1PR3
SCHEMBL5168534 0.87 ALOX5 (0.32) TAAR1S1PR1S1PR3
SCHEMBL5167465 0.87 S1PR1 (0.34) TAAR1S1PR1S1PR3
SCHEMBL5168931 0.86 ALOX5 (0.42) S1PR1
SCHEMBL385900 0.86 GRM5 (0.39) TAAR1S1PR1
SCHEMBL5179483 0.86 HDAC4 (0.38) TAAR1CALM1TRPV1NR1D1HDAC4

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
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TAAR1 32/4885F2RL1 3291/4885CALM1 4264/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TAAR1 32/4885F2RL1 3291/4885CALM1 4264/4885

“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.