SCHEMBL4290083

SCHEMBL4290083

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.61
GBA1 P04062 1/20 0.52
S1PR5 Q9H228 2/20 0.50
S1PR1 P21453 1/20 0.50
POLB P06746 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
SCN4A P35499 2/20 0.45
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4290080 1.00 FUCA1 (0.61) FUCA1GBA1S1PR5S1PR1POLB
SCHEMBL2198568 0.88 FUCA1 (0.58) FUCA1GBA1S1PR5S1PR1POLB
SCHEMBL2198578 0.88 FUCA1 (0.58) FUCA1GBA1S1PR5S1PR1POLB
SCHEMBL2198573 0.88 FUCA1 (0.58) FUCA1GBA1S1PR5S1PR1POLB
SCHEMBL3121007 0.87 UBE2M (0.60) FUCA1POLBDRD2DRD4DRD3
SCHEMBL11332724 0.87 FUCA1 (0.56) FUCA1GBA1DRD2DRD4KMT2A
SCHEMBL2221237 0.87 UBE2M (0.60) FUCA1POLBDRD2DRD4DRD3
SCHEMBL2190406 0.87 FUCA1 (0.56) FUCA1GBA1S1PR5S1PR1POLB
SCHEMBL2221234 0.87 UBE2M (0.60) FUCA1POLBDRD2DRD4DRD3
SCHEMBL11332733 0.87 FUCA1 (0.56) FUCA1GBA1DRD2DRD4KMT2A

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 FUCA1 254/4885GBA1 442/4885S1PR5 3614/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 FUCA1 303/4885GBA1 317/4885S1PR5 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.