SCHEMBL3885157

SCHEMBL3885157

CC(C)(C)[Si](C)(C)O[C@H]1CN(Cc2ccccc2)C[C@H]1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
FUCA1 P04066 2/20 0.40
S1PR5 Q9H228 3/20 0.39
S1PR1 P21453 2/20 0.39
THRB P10828 1/20 0.38
ACHE P22303 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MC4R P32245 1/20 0.36

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
SCHEMBL1237635 0.90 FUCA1 (0.45) FUCA1S1PR5S1PR1THRBACHE
SCHEMBL1237636 0.90 FUCA1 (0.45) FUCA1S1PR5S1PR1THRBACHE
SCHEMBL6765544 0.90 FUCA1 (0.45) FUCA1S1PR5S1PR1THRBACHE
SCHEMBL3880527 0.84 FUCA1 (0.54) FUCA1S1PR5S1PR1THRBCYP1A2
SCHEMBL3884231 0.84 FUCA1 (0.54) FUCA1S1PR5S1PR1THRBCYP1A2
SCHEMBL25217562 0.80 FUCA1 (0.38) DPP4FUCA1THRBACHESIGMAR1
SCHEMBL16764987 0.80 FUCA1 (0.38) DPP4FUCA1THRBACHESIGMAR1
SCHEMBL25595509 0.80 FUCA1 (0.38) DPP4FUCA1THRBACHESIGMAR1
SCHEMBL6214178 0.79 DPP4 (0.48) DPP4FUCA1S1PR5S1PR1ACHE
SCHEMBL6214181 0.79 DPP4 (0.48) DPP4FUCA1S1PR5S1PR1ACHE

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
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 DPP4 34/4885FUCA1 254/4885S1PR5 3614/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 DPP4 39/4885FUCA1 303/4885S1PR5 4371/4885

“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.