SCHEMBL2719623

SCHEMBL2719623

O=C(CCl)N1CCC(C=Cc2cccc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
YAP1 P46937 2/20 0.43
TEAD4 Q15561 2/20 0.43
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL2719619 1.00 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2ACYP1A2
SCHEMBL2723040 0.84 MAOB (0.54) ALDH1A1MEN1LMNAKMT2AHDAC8
SCHEMBL2723038 0.84 MAOB (0.54) ALDH1A1MEN1LMNAKMT2AHDAC8
SCHEMBL6012016 0.83 KMT2A (0.46) ALDH1A1MEN1LMNAKMT2AHDAC8
SCHEMBL6011048 0.83 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2ACYP1A2
Hydrochloric Acid SCHEMBL2720118 0.82 MEN1 (0.46) ALDH1A1MEN1LMNAKMT2ACYP1A2
Hydrochloric Acid SCHEMBL2720115 0.82 MEN1 (0.46) ALDH1A1MEN1LMNAKMT2ACYP1A2
SCHEMBL14261851 0.80 CYP1A2 (0.42) ALDH1A1MEN1LMNAKMT2ACYP1A2
SCHEMBL14261783 0.79 STS (0.54) ALDH1A1MEN1LMNAKMT2A
SCHEMBL6011019 0.78 ALDH1A1 (0.43) ALDH1A1YAP1TEAD4MAOBMAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785415-B1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-20080070898-A1 Piperidine Derivative or Pharmaceutically Acceptable Salt Thereof ASTELLAS PHARMA INC. (JP) 2008-03-20 US disclosed
EP-1785415-A1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-16 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-20080070898-A1 Piperidine Derivative or Pharmaceutically Acceptable Salt Thereof TRPV1, TRPA1, CACNA1D ALDH1A1 863/4885MEN1 2489/4885LMNA 4115/4885

“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.