SCHEMBL6011048

SCHEMBL6011048

O=C(CN1CCNCC1)N1CCC(/C=C/c2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 2/20 0.40
WNT3 P56703 1/20 0.40
SFRP1 Q8N474 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
EPHX2 P34913 1/20 0.39

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
Hydrochloric Acid SCHEMBL2720118 0.99 MEN1 (0.46) ALDH1A1MEN1KMT2ALMNATSHR
Hydrochloric Acid SCHEMBL2720115 0.99 MEN1 (0.46) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL6011980 0.87 POLB (0.42) ALDH1A1WNT3SFRP1KCNH2MAOA
SCHEMBL6012016 0.87 KMT2A (0.46) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL6012082 0.87 MAOB (0.50) ALDH1A1MEN1KMT2AHDAC8KDM4E
Hydrochloric Acid SCHEMBL2720583 0.86 MAOB (0.49) ALDH1A1MEN1KMT2AHDAC8KDM4E
Hydrochloric Acid SCHEMBL2720581 0.86 MAOB (0.49) ALDH1A1MEN1KMT2AHDAC8KDM4E
SCHEMBL2719619 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL2719623 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL2721118 0.81 CHRM2 (0.47) MEN1KMT2ATSHRSMN1; SMN2

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 4 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
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 2489/4885KMT2A 722/4885

“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.