SCHEMBL5166334

SCHEMBL5166334

COc1cc(CCCC#Cc2ccc(CCC(C)(N)CO)s2)cc(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
CALM1 P0DP23 2/20 0.32
AKR1B1 P15121 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL5167164 0.91 LMNA (0.40) LMNA
SCHEMBL386263 0.91 CALM1 (0.36) CALM1
Hydrochloric Acid SCHEMBL5166830 0.90 CALM1 (0.36) CALM1
SCHEMBL5165425 0.88 TUBB4A (0.37) CYP19A1
SCHEMBL6303074 0.86 DPP4 (0.36) LMNA
SCHEMBL5168188 0.86 GRM5 (0.30)
SCHEMBL5168018 0.86 ATM (0.37) CYP19A1
SCHEMBL386318 0.86 S1PR1 (0.42)
SCHEMBL5166740 0.84 TAAR1 (0.35) CALM1
SCHEMBL383663 0.84 GRM5 (0.35) LMNA

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 PTGS2 1464/4885LMNA 3703/4885CYP19A1 1718/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A PTGS2 1464/4885LMNA 3703/4885CYP19A1 1718/4885

“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.