SCHEMBL4297271

SCHEMBL4297271

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.41
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
POLB P06746 1/20 0.41
SCN4A P35499 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FUCA1 P04066 2/20 0.38

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
SCHEMBL4297275 1.00 HTR4 (0.41) HTR4S1PR1S1PR5POLBSCN4A
SCHEMBL3948310 0.89 KMT2A (0.47) HTR4MEN1KMT2ADRD2DRD4
SCHEMBL13631063 0.89 KMT2A (0.47) HTR4MEN1KMT2ADRD2DRD4
SCHEMBL4353262 0.89 KMT2A (0.47) HTR4MEN1KMT2ADRD2DRD4
SCHEMBL15521125 0.85 OGA (0.45) HTR4S1PR1S1PR5POLBMEN1
SCHEMBL15521073 0.84 UBE2M (0.39) HTR4S1PR1S1PR5POLBMEN1
SCHEMBL1237636 0.84 FUCA1 (0.45) S1PR1S1PR5DRD2DRD3FUCA1
SCHEMBL6765544 0.84 FUCA1 (0.45) S1PR1S1PR5DRD2DRD3FUCA1
SCHEMBL1237635 0.84 FUCA1 (0.45) S1PR1S1PR5DRD2DRD3FUCA1
SCHEMBL8741125 0.82 POLB (0.46) S1PR1S1PR5POLBSCN4AKMT2A

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 4 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
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 HTR4 4125/4885S1PR1 3319/4885S1PR5 3614/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 HTR4 4514/4885S1PR1 4056/4885S1PR5 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.