SCHEMBL4072653

SCHEMBL4072653

O=C1CN(Cc2ccccc2)CC(CO)N1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
GBA1 P04062 1/20 0.44
FUCA1 P04066 2/20 0.44
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
CREBBP Q92793 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL20304604 1.00 SIGMAR1 (0.46) SIGMAR1GBA1FUCA1S1PR1S1PR5
SCHEMBL4072649 1.00 SIGMAR1 (0.46) SIGMAR1GBA1FUCA1S1PR1S1PR5
SCHEMBL26690669 0.85 ALOX5 (0.47) SIGMAR1FUCA1S1PR1S1PR5ALDH1A1
SCHEMBL26690672 0.85 ALOX5 (0.47) SIGMAR1FUCA1S1PR1S1PR5ALDH1A1
SCHEMBL3318028 0.79 ACHE (0.46) SIGMAR1FUCA1S1PR1S1PR5
SCHEMBL3318031 0.79 ACHE (0.46) SIGMAR1FUCA1S1PR1S1PR5
SCHEMBL7495381 0.78 SMN1; SMN2 (0.38) SIGMAR1FUCA1ALDH1A1MEN1KMT2A
SCHEMBL7495387 0.78 SMN1; SMN2 (0.38) SIGMAR1FUCA1ALDH1A1MEN1KMT2A
SCHEMBL24326686 0.77 FUCA1 (0.53) SIGMAR1GBA1FUCA1S1PR1S1PR5
SCHEMBL4068578 0.76 TOP2A (0.36) SIGMAR1FUCA1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208097-B1 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMA INC (US) 2009-02-18 EP disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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 (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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 SIGMAR1 3180/4885GBA1 2687/4885FUCA1 2777/4885

“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.