SCHEMBL3435103

SCHEMBL3435103

NC(=O)CN1CCCC(c2ccccc2N)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.41
PTPN11 Q06124 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 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
SCHEMBL3436055 0.90 DRD4 (0.41) OPRL1OGFRL1CYP2C19ALDH1A1DRD4
SCHEMBL3436631 0.85 PROKR1 (0.47) OPRL1OGFRL1DRD4
SCHEMBL3436049 0.84 CYP2C19 (0.44) KMT2AMEN1CYP2C19ALDH1A1DRD4
Hydrochloric Acid SCHEMBL2078695 0.83 CYP2C19 (0.43) KMT2AMEN1CYP2C19ALDH1A1DRD4
SCHEMBL28853811 0.77 PTPN11 (0.43) KMT2AMEN1PTPN11DRD3
SCHEMBL3436380 0.76 DRD4 (0.52) OPRL1ALDH1A1DRD4
SCHEMBL3436624 0.76 DRD4 (0.55) OPRL1DRD4
SCHEMBL9671400 0.74 RBP4 (0.48) CYP2C19
SCHEMBL4356330 0.74 CYP3A4 (0.45) PTPN11DRD2DRD1DRD4DRD5
SCHEMBL24652524 0.72 ALDH1A1 (0.57) KMT2AALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 OPRL1 51/4885OGFRL1 367/4885KMT2A 1707/4885

“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.