SCHEMBL13168293

SCHEMBL13168293

O=C(c1cccc2c1CC[C@@H]2N1COc2c(Cl)cccc2C1)N1CCC2(CCN(c3ccncc3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.41
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
CYP3A4 P08684 6/20 0.38
CYP2C9 P11712 6/20 0.37
CYP2C19 P33261 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 3/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2816054 0.83 BDKRB1 (0.53) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL484505 0.83 BDKRB1 (0.53) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL2818672 0.79 BDKRB1 (0.59) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL2818774 0.77 ITGB3 (0.44) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL2817752 0.77 ITGB3 (0.44) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL2817512 0.74 ITGB3 (0.42) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL2818144 0.74 ITGB3 (0.42) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL2819707 0.72 ITGB3 (0.44) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL2817274 0.72 ITGB3 (0.44) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9
SCHEMBL2815693 0.72 CYP2C9 (0.47) BDKRB1ITGB3ITGA2BCYP3A4CYP2C9

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-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN BDKRB1 1/4885ITGB3 3292/4885ITGA2B 3190/4885

“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.