SCHEMBL2719317

SCHEMBL2719317

Clc1ccccc1/C=C/C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK2 Q92630 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAOA P21397 4/20 0.38
▸ MAOB P27338 3/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ CHAT P28329 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ GSR P00390 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL2719321 1.00 DYRK2 (0.40) DYRK2NPC1RAB9AALDH1A1MAOA
SCHEMBL28341710 0.84 NPC1 (0.49) NPC1RAB9AALDH1A1MAOAMAOB
SCHEMBL28339237 0.82 NPC1 (0.51) NPC1RAB9AALDH1A1MAOAMAOB
SCHEMBL28341736 0.82 NPC1 (0.51) NPC1RAB9AALDH1A1MAOAMAOB
SCHEMBL1476005 0.79 HTR2C (0.47) RAB9AALDH1A1ADRB1SLC18A3SIGMAR1
SCHEMBL13794937 0.79 HTR2C (0.47) RAB9AALDH1A1ADRB1SLC18A3SIGMAR1
SCHEMBL1476002 0.79 HTR2C (0.47) RAB9AALDH1A1ADRB1SLC18A3SIGMAR1
SCHEMBL29260523 0.79 CYP3A4 (0.39) NPC1RAB9AALDH1A1MAOAMAOB
SCHEMBL6011004 0.79 SLC18A3 (0.36) MAOAMAOBCHRM1CHRM3SLC18A3
SCHEMBL1477276 0.79 MAOA (0.54) DYRK2MAOAMAOB

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 7 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
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
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
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 DYRK2 3037/4885NPC1 762/4885RAB9A 1557/4885

“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.

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