SCHEMBL6011015

SCHEMBL6011015

C(=C/C1CCNCC1)\c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.45
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HDAC2 Q92769 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.41
MGLL Q99685 1/20 0.41
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38

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
SCHEMBL27140897 0.89 KDM1A (0.51) KHKKDM1AALDH1A1LMNAMAOA
SCHEMBL818902 0.89 KDM1A (0.51) KHKKDM1AALDH1A1LMNAMAOA
SCHEMBL20015683 0.89 KDM1A (0.51) KHKKDM1AALDH1A1LMNAMAOA
Hydrochloric Acid SCHEMBL7469122 0.87 KDM1A (0.50) KHKKDM1AALDH1A1LMNAMAOA
Hydrochloric Acid SCHEMBL27154699 0.87 KDM1A (0.50) KHKKDM1AALDH1A1LMNAMAOA
Hydrochloric Acid SCHEMBL7469111 0.87 KDM1A (0.50) KHKKDM1AALDH1A1LMNAMAOA
SCHEMBL6011007 0.83 HTR1A (0.46) KHKKDM1AALDH1A1LMNAHRH1
SCHEMBL29168417 0.82 ALDH1A1 (0.44) ALDH1A1LMNAMAOAMAOBCA1
SCHEMBL6011041 0.79 MAOB (0.51) KHKKDM1AALDH1A1MAOBCA1
SCHEMBL5213208 0.79 MAOB (0.51) KHKMAOAMAOB

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 KHK 3245/4885KDM1A 526/4885ALDH1A1 863/4885

“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.