SCHEMBL13309487

SCHEMBL13309487

COC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.67
CACNB1 Q02641 6/20 0.67
CACNA1B Q00975 5/20 0.67
CYP2D6 P10635 3/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
CACNA1G O43497 4/20 0.64
CACNA1C Q13936 3/20 0.64
CACNA1A O00555 1/20 0.63
GPX4 P36969 2/20 0.62
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
BCL2 P10415 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRA1A P35348 1/20 0.61

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
SCHEMBL5688541 0.86 CACNA2D1 (0.60) CACNA2D1CACNB1CACNA1BCYP2D6CYP3A4
SCHEMBL12203725 0.85 MGLL (0.84) CACNA2D1CACNB1CACNA1BCYP2D6CYP3A4
SCHEMBL16769444 0.85 KMT2A (0.82) CACNA2D1CACNB1CACNA1BCYP2D6CYP3A4
SCHEMBL13309468 0.85 KMT2A (0.82) CACNA2D1CACNB1CACNA1BCYP2D6CYP3A4
SCHEMBL4649907 0.83 MGLL (0.62) CACNA2D1CACNB1CACNA1BCYP2D6CACNA1G
SCHEMBL7662352 0.83 CACNA2D1 (0.64) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL3596897 0.81 CACNA2D1 (0.61) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL588070 0.81 CACNA2D1 (0.61) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL7668121 0.81 CHRM2 (0.83) CACNA2D1CACNB1CACNA1BCYP2D6CYP3A4
SCHEMBL3395395 0.80 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C

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-20100145049-A1 PROCESS FOR MAKING N-(DIPHENYLMETHYL)PIPERAZINES SYNTHON BV (NL) 2010-06-10 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-20100145049-A1 PROCESS FOR MAKING N-(DIPHENYLMETHYL)PIPERAZINES IL5, PRMT5, IL15 CACNA2D1 1828/4885CACNB1 2012/4885CACNA1B 574/4885

“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.