SCHEMBL4067003

SCHEMBL4067003

CC(C)CN1CCC2(CC1)CCN(CCCn1ccnc1CN(C)Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
CXCR4 P61073 1/20 0.39
CYP3A4 P08684 8/20 0.38
USP2 O75604 6/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 7/20 0.38
CYP1A2 P05177 3/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SIGMAR1 Q99720 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
SCHEMBL4073134 0.89 CXCR4 (0.40) OPRM1OPRL1CXCR4CYP3A4USP2
SCHEMBL4528221 0.88 OPRM1 (0.44) OPRM1OPRL1CYP3A4TSHRCYP2C19
SCHEMBL4067508 0.87 CXCR4 (0.41) CXCR4CYP3A4USP2TSHRCYP2D6
SCHEMBL4532140 0.87 CXCR4 (0.41) CXCR4CYP3A4USP2TSHRCYP2D6
SCHEMBL4065760 0.87 CXCR4 (0.41) CXCR4CYP3A4USP2TSHRCYP2D6
SCHEMBL4069969 0.87 CXCR4 (0.37) OPRM1OPRL1CXCR4CYP3A4USP2
SCHEMBL4072289 0.86 CXCR4 (0.40) OPRM1OPRL1CXCR4CYP3A4USP2
SCHEMBL4069851 0.85 CXCR4 (0.40) CXCR4CYP3A4USP2TSHRCYP2D6
SCHEMBL4077923 0.85 CXCR4 (0.39) OPRM1OPRL1CXCR4CYP3A4TSHR
SCHEMBL4071725 0.85 CXCR4 (0.41) CXCR4CYP3A4USP2TSHRCYP2D6

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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP 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 397/4885CXCR4 1/4885

“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.