SCHEMBL3034628

SCHEMBL3034628

CN1CCC(N(C)C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
MAPT P10636 5/20 0.50
HSD17B10 Q99714 2/20 0.50
CTNNB1 P35222 6/20 0.49
WNT3A P56704 4/20 0.49
HTT P42858 4/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH3A1 P30838 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL14500762 0.75 MCHR1 (0.52) CTNNB1WNT3AL3MBTL1LMNA
SCHEMBL3043264 0.75 MCHR1 (0.62) ALDH1A1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL3045424 0.75 TRPM8 (0.53) ALDH1A1HSD17B10NPC1RAB9AL3MBTL1
SCHEMBL3042580 0.74 HRH3 (0.50) ALDH1A1MAPTCTNNB1WNT3AHTT
SCHEMBL10091954 0.72 HPGD (0.88) ALDH1A1MAPTHSD17B10CTNNB1WNT3A
SCHEMBL4259988 0.72 ALDH1A1 (1.00) ALDH1A1MAPTHSD17B10CTNNB1WNT3A
SCHEMBL15563003 0.72 ALDH1A1 (0.90) ALDH1A1MAPTHSD17B10HTTHPGD
SCHEMBL653025 0.71 PKM (0.87) ALDH1A1CTNNB1WNT3AHPGDPKM
SCHEMBL4377414 0.70 HRH3 (0.63) ALDH1A1MAPTHSD17B10CTNNB1WNT3A
SCHEMBL2831406 0.70 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP claimed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 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 (2 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-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 ALDH1A1 1285/4885MAPT 2095/4885HSD17B10 3834/4885
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 ALDH1A1 3109/4885MAPT 1626/4885HSD17B10 3901/4885

“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.