SCHEMBL4398865

SCHEMBL4398865

CCS(=O)(=O)NC1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
APLNR P35414 2/20 0.40
BRD4 O60885 2/20 0.39
BRD2 P25440 2/20 0.39
BRD3 Q15059 2/20 0.39
MAPK1 P28482 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A1 P30531 2/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A11 P48066 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL962883 1.00 KCNH2 (0.41) KCNH2APLNRBRD4BRD2BRD3
SCHEMBL28042404 0.89 KCNH2 (0.53) KCNH2APLNRSLC6A1SLC6A11SLC6A13
Hydrochloric Acid SCHEMBL1000070 0.87 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL30954979 0.87 KCNH2 (0.52) KCNH2
SCHEMBL21075843 0.85 PSEN1 (0.40) KCNH2APLNRBRD4BRD2BRD3
SCHEMBL1007901 0.84 APLNR (0.37) KCNH2APLNRBRD4BRD2BRD3
SCHEMBL1007900 0.84 APLNR (0.37) KCNH2APLNRBRD4BRD2BRD3
Hydrochloric Acid SCHEMBL31722748 0.84 GNAI3 (0.39) KCNH2CA12CA1CA7CA14
SCHEMBL4411373 0.81 APLNR (0.42) KCNH2APLNRBRD4BRD2BRD3
SCHEMBL15357972 0.80 BRD4 (0.35) KCNH2APLNRBRD4BRD2BRD3

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-4208465-A1 MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS Orexia Therapeutics Limited (GB) 2023-07-12 EP disclosed
WO-2022051583-A1 MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS OREXIA THERAPEUTICS LIMITED (GB) 2022-03-10 WO disclosed
WO-2017147526-A1 PI-KINASE INHIBITORS WITH ANTI-INFECTIVE ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-08-31 WO disclosed
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 KCNH2 966/4885APLNR 805/4885BRD4 2356/4885

“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.