SCHEMBL13629823

SCHEMBL13629823

NC1CCNC(c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.42
MAOA P21397 9/20 0.42
KDM1A O60341 9/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2B6 P20813 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
RCOR1 Q9UKL0 2/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2A6 P11509 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL30141969 1.00 MAOB (0.42) MAOBMAOAKDM1ACYP2C19CYP2B6
Trifluoroacetic Acid SCHEMBL29891929 0.86 KDM1A (0.43) KDM1ASLC6A2
Tert-Butyl Formate SCHEMBL28065029 0.83 TDP1 (0.34) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL15580371 0.78 SLC18A3 (0.55) SLC6A2SLC18A3SIGMAR1CHRNB2CHRNA4
SCHEMBL4237630 0.78 SLC18A3 (0.55) SLC6A2SLC18A3SIGMAR1CHRNB2CHRNA4
SCHEMBL24233804 0.77 MEN1 (0.43) SLC6A2ADRA1ASLC6A3SLC18A3SIGMAR1
SCHEMBL17066472 0.77 MEN1 (0.43) SLC6A2ADRA1ASLC6A3SLC18A3SIGMAR1
SCHEMBL5054915 0.77 SLC18A3 (0.39) CYP2C19CYP1A2CYP2D6CYP2C9CYP2A6
SCHEMBL22473177 0.77 MEN1 (0.43) SLC6A2ADRA1ASLC6A3SLC18A3SIGMAR1
SCHEMBL22473203 0.77 SLC18A3 (0.39) KDM1ACYP2C19CYP1A2CYP2D6CYP2C9

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-20090275749-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE PIPERAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
EP-1930325-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE PIPERAZINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-06-11 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-20090275749-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE PIPERAZINE COMPOUND CYP51A1, CYP4Z1, CYP4A11 MAOB 119/4885MAOA 139/4885KDM1A 674/4885

“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.