SCHEMBL863256

SCHEMBL863256

OC1(Cc2ccccc2F)CCCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.50
GAA P10253 1/20 0.49
OPRL1 P41146 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
SIGMAR1 Q99720 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
CCR3 P51677 1/20 0.45
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL376474 0.95 OPRL1 (0.54) DPP4GAAOPRL1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10502200 0.93 POLB (0.55) DPP4GAAOPRL1ALDH1A1MEN1
SCHEMBL10502436 0.90 MEN1 (0.54) DPP4GAAOPRL1ALDH1A1MEN1
SCHEMBL10502432 0.90 MEN1 (0.54) DPP4GAAOPRL1ALDH1A1MEN1
SCHEMBL11263425 0.87 GAA (0.48) DPP4GAAOPRL1ALDH1A1MEN1
SCHEMBL3859282 0.82 ALDH1A1 (0.56) GAAOPRL1ALDH1A1MEN1KMT2A
SCHEMBL10502242 0.82 CCR3 (0.54) GAAOPRL1ALDH1A1POLBSIGMAR1
SCHEMBL11542738 0.82 SIGMAR1 (0.49) GAASIGMAR1
SCHEMBL863626 0.81 CCR3 (0.53) OPRL1ALDH1A1POLBSIGMAR1CCR3
Hydrochloric Acid SCHEMBL10502898 0.81 CCR3 (0.53) GAAOPRL1ALDH1A1POLBSIGMAR1

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-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO 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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 DPP4 1038/4885GAA 2697/4885OPRL1 101/4885

“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.