SCHEMBL13309488

SCHEMBL13309488

Clc1ccc([C@H](c2ccccc2)N2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.71
KCNH2 Q12809 5/20 0.71
CHRM2 P08172 3/20 0.71
ADRA2A P08913 3/20 0.71
ADRA1A P35348 3/20 0.71
DRD3 P35462 3/20 0.71
OPRM1 P35372 3/20 0.71
CYP3A4 P08684 3/20 0.71
HTR1A P08908 2/20 0.71
CHRM1 P11229 2/20 0.71
DRD1 P21728 2/20 0.71
TBXA2R P21731 2/20 0.71
SLC6A2 P23975 2/20 0.71
SLC6A4 P31645 2/20 0.71
SLC6A3 Q01959 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
ALDH1A1 P00352 1/20 0.71
USP2 O75604 1/20 0.71
BCL2 P10415 1/20 0.70
HRH3 Q9Y5N1 1/20 0.70

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
SCHEMBL13309489 1.00 CYP2D6 (0.71) CYP2D6KCNH2CHRM2ADRA2AADRA1A
SCHEMBL6824843 1.00 CYP2D6 (0.71) CYP2D6KCNH2CHRM2ADRA2AADRA1A
SCHEMBL16757326 0.92 CYP2D6 (0.66) CYP2D6KCNH2CHRM2ADRA2AADRA1A
SCHEMBL7668121 0.90 CHRM2 (0.83) CYP2D6KCNH2CHRM2ADRA2AADRA1A
SCHEMBL5267415 0.88 CYP2D6 (0.68) CYP2D6KCNH2CHRM2ADRA2AADRA1A
Hydrochloric Acid SCHEMBL31327366 0.86 CYP2D6 (0.65) CYP2D6KCNH2CHRM2ADRA2AADRA1A
SCHEMBL2054235 0.86 CYP2D6 (0.67) CYP2D6KCNH2CHRM2ADRA2AADRA1A
Hydrochloric Acid SCHEMBL16107427 0.84 CYP2D6 (0.64) CYP2D6KCNH2CHRM2ADRA2AADRA1A
SCHEMBL5363117 0.84 CYP2D6 (0.76) CYP2D6KCNH2CHRM2ADRA2AADRA1A
Homochlorcyclizine SCHEMBL30402 0.84 DRD3 (1.00) CYP2D6KCNH2CHRM2ADRA2AADRA1A

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 CYP2D6 547/4885KCNH2 683/4885CHRM2 513/4885

“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.