SCHEMBL2270934

SCHEMBL2270934

O=C(O)NC1CCN(c2ccnc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
CHRM4 P08173 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
SMO Q99835 2/20 0.41
ME3 Q16798 1/20 0.40
PHGDH O43175 1/20 0.39
EPHX2 P34913 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
NPY5R Q15761 2/20 0.39
GFER P55789 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
SCHEMBL21434104 0.88 SMO (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20445986 0.84 MAP3K5 (0.45) MEN1KMT2AMAPK1ME3PHGDH
SCHEMBL2271966 0.83 SUV39H2 (0.52)
SCHEMBL16691310 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2269537 0.81 PDE4B (0.50) CHRM4MAPK1PHGDH
SCHEMBL21434089 0.80 TAS1R3 (0.40) CHRM4SMOTAS1R3TAS1R1TAS1R2
SCHEMBL4617713 0.80 GFER (0.53) MEN1KMT2AEPHX2TAS1R3TAS1R1
SCHEMBL27557817 0.80 ITGB3 (0.51) ME3EPHX2
SCHEMBL2001638 0.80 AKR1C3 (0.50) CHRM4MEN1KMT2AME3EPHX2
SCHEMBL23492863 0.79 CHRM4 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 10/4885

“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.