SCHEMBL6583543

SCHEMBL6583543

Clc1ccc(C(=C2CCNCC2)c2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.62
KCNH2 Q12809 3/20 0.62
PTAFR P25105 1/20 0.62
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
TLR7 Q9NYK1 1/20 0.48
OPRM1 P35372 4/20 0.47
OPRK1 P41145 3/20 0.47
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
AGTR1 P30556 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 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
SCHEMBL8313654 0.88 OPRD1 (0.64) OPRD1KCNH2PTAFRMEN1KMT2A
Cycliramine SCHEMBL2109915 0.81 MEN1 (0.82) OPRD1KCNH2PTAFRMEN1KMT2A
SCHEMBL8314573 0.80 OPRD1 (0.58) OPRD1KCNH2OPRM1OPRK1LMNA
SCHEMBL10460871 0.79 OPRD1 (0.65) OPRD1KCNH2OPRM1OPRK1
SCHEMBL30567989 0.77 OPRD1 (0.56) OPRD1KCNH2PTAFRMEN1KMT2A
SCHEMBL21381637 0.77 OPRD1 (0.56) OPRD1KCNH2PTAFRMEN1KMT2A
Bromide SCHEMBL10461679 0.76 OPRD1 (0.61) OPRD1KCNH2OPRM1OPRK1
SCHEMBL8233166 0.76 PTAFR (0.53) OPRD1KCNH2PTAFRMEN1KMT2A
Cycliramine SCHEMBL634920 0.73 MEN1 (1.00) OPRD1KCNH2PTAFRMEN1KMT2A
SCHEMBL12751010 0.72 OPRD1 (0.48) OPRD1KCNH2KMT2AFNTAFNTB

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
EP-1318996-B1 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2004-12-01 EP disclosed
US-6762186-B2 USE TO TREAT ALLERGY, NASAL CONGESTION, INFLAMMATORY AND CENTRAL NERVOUS SYSTEM-RELATED DISEASES SCHERING CORPORATION 2004-07-13 US disclosed
EP-1318996-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS Schering Corporation (US) 2003-06-18 EP disclosed
US-20020082278-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists SCHERING CORPORATION 2002-06-27 US disclosed
WO-2002044141-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORPORATION (US) 2002-06-06 WO disclosed
US-5432175-A Antiallergic, antiinflammatory agents SCHERING CORPORATION (US) 1995-07-11 US disclosed
EP-0553191-A1 PYRIDINE AND PYRIDINE N-OXIDE DERIVATIVES OF DIARYL METHYL PIPERIDINES OR PIPERAZINES, AND COMPOSITIONS AND METHODS OF USE THEREOF. SCHERING CORP (US) 1993-08-04 EP disclosed
WO-1992006971-A1 PYRIDINE AND PYRIDINE N-OXIDE DERIVATIVES OF DIARYL METHYL PIPERIDINES OR PIPERAZINES, AND COMPOSITIONS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 1992-04-30 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-20020082278-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists HRH3, HRH4, HRH2 OPRD1 316/4885KCNH2 252/4885PTAFR 781/4885

“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.