SCHEMBL4528221

SCHEMBL4528221

CN(Cc1ccccc1)Cc1nccn1CCCN1CCC2(CCNCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2D6 P10635 3/20 0.42
DRD3 P35462 1/20 0.40
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PARP1 P09874 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
SCHEMBL4067003 0.88 OPRM1 (0.43) OPRM1OPRL1ALDH1A1TSHRCYP2C19
SCHEMBL4071927 0.83 CXCR4 (0.42) OPRM1OPRL1MEN1ALDH1A1TSHR
SCHEMBL4067026 0.83 CXCR4 (0.42) OPRM1OPRL1ALDH1A1TSHRCYP2C19
SCHEMBL4073134 0.76 CXCR4 (0.40) OPRM1OPRL1ALDH1A1TSHRCYP2C9
SCHEMBL4077923 0.76 CXCR4 (0.39) OPRM1OPRL1ALDH1A1TSHRDRD3
SCHEMBL4071723 0.76 OPRM1 (0.42) OPRM1OPRL1MEN1ALDH1A1TSHR
SCHEMBL4065760 0.75 CXCR4 (0.41) ALDH1A1TSHRCYP2C9CYP2D6CYP3A4
SCHEMBL4532140 0.75 CXCR4 (0.41) ALDH1A1TSHRCYP2C9CYP2D6CYP3A4
SCHEMBL4067508 0.75 CXCR4 (0.41) ALDH1A1TSHRCYP2C9CYP2D6CYP3A4
SCHEMBL4072289 0.74 CXCR4 (0.40) OPRM1OPRL1MEN1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 OPRM1 1350/4885OPRL1 397/4885MEN1 2211/4885

“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.