SCHEMBL3249195

SCHEMBL3249195

O=C(c1ccnc(Cl)c1)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.63
HPGD P15428 2/20 0.60
PHGDH O43175 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
AKR1C3 P42330 1/20 0.54
PROKR1 Q8TCW9 1/20 0.52
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49

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
SCHEMBL937205 0.85 PROKR1 (0.63) PKMHPGDSMN1; SMN2PROKR1ALDH1A1
SCHEMBL939096 0.85 PROKR1 (0.63) HPGDPROKR1ALDH1A1KMT2AKDM4E
SCHEMBL23388477 0.84 PKM (0.46) PKMHPGDPHGDHSMN1; SMN2AKR1C3
SCHEMBL1859158 0.84 PROKR1 (0.61) HPGDPROKR1ALDH1A1KMT2A
SCHEMBL30667713 0.84 PROKR1 (0.61) HPGDPROKR1ALDH1A1KMT2A
SCHEMBL6179175 0.83 PROKR1 (0.53) PKMHPGDSMN1; SMN2AKR1C3PROKR1
SCHEMBL798155 0.82 PHGDH (0.60) PKMHPGDPHGDHSMN1; SMN2AKR1C3
SCHEMBL7492026 0.81 SIGMAR1 (0.54) HPGDPROKR1KDM4EL3MBTL1HSP90AA1
SCHEMBL4059188 0.81 POLB (0.59) HPGDPROKR1ALDH1A1KMT2AKDM4E
SCHEMBL18175986 0.81 PKM (0.55) PKMHPGDPHGDHSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 EP disclosed
EP-2186516-B1 Novel benzazepine derivative GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2186516-A1 Novel benzazepine derivative Glaxo Group Limited (GB) 2010-05-19 EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
EP-1572215-B1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LTD (GB) 2009-09-02 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 (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-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA PKM 2328/4885HPGD 3414/4885PHGDH 3765/4885

“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.