SCHEMBL5654541

SCHEMBL5654541

COCN(C(C)c1ccccc1)[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.36
HRH1 P35367 4/20 0.36
ALOX5 P09917 1/20 0.36
MTOR P42345 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
AOC3 Q16853 1/20 0.34
RIPK1 Q13546 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SMPD1 P17405 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 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
SCHEMBL9265557 0.78 LTA4H (0.36) TDP1
SCHEMBL1773267 0.76 ADRA2A (0.36) HTR2AHRH1ALOX5ADRA2AADRA2B
SCHEMBL2206565 0.76 ADRA2A (0.36) HTR2AHRH1ALOX5ADRA2AADRA2B
SCHEMBL1773270 0.76 ADRA2A (0.36) HTR2AHRH1ALOX5ADRA2AADRA2B
SCHEMBL13124544 0.76 HTR2A (0.39) HTR2AHRH1ALOX5ADRA2ATAAR1
SCHEMBL2010329 0.70 HTR2A (0.33) HTR2AHRH1ADRA2AADRA2BADRA2C
SCHEMBL13109023 0.70 SIGMAR1 (0.41) HTR2AHRH1ADRA2AADRA2BADRA2C
SCHEMBL15596871 0.69 HTR2A (0.58) HTR2AHRH1ALOX5MTORADRA2A
SCHEMBL8026394 0.69 HTR2A (0.58) HTR2AHRH1ALOX5MTORADRA2A
SCHEMBL12573493 0.69 HTR2A (0.58) HTR2AHRH1ALOX5MTORADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102451-A N-phenyl-carboxamide derivatives and their use as medicaments for the treatment of hepatitis b JANSSEN R & D IRELAND 2015-11-25 CN disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 US disclosed
US-20040063700-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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 (1 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-20040063700-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method GPR119, SLC5A2, GLP1R HTR2A 1733/4885HRH1 1460/4885ALOX5 3629/4885

“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.