SCHEMBL6057433

SCHEMBL6057433

O=Cc1ccc(-c2ccc(CN3CCCC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.69
HRH4 Q9H3N8 1/20 0.69
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
CHKA P35790 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
MCHR1 Q99705 1/20 0.50
MBTD1 Q05BQ5 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL3694234 0.94 HRH3 (0.65) HRH3HRH4CYP2D6CYP2C19ALDH1A1
SCHEMBL3682326 0.93 HRH3 (0.69) HRH3HRH4CYP2D6CYP2C19ALDH1A1
SCHEMBL3717999 0.93 HRH3 (0.69) HRH3HRH4CYP2D6CYP2C19ALDH1A1
SCHEMBL470384 0.91 HRH3 (0.59) HRH3HRH4CYP2D6CYP2C19CHKA
SCHEMBL17465271 0.86 CHKA (0.77) HRH3HRH4CHKAKDM4E
SCHEMBL31528292 0.84 CYP2D6 (0.66) HRH3HRH4CYP2D6CYP2C19CHKA
SCHEMBL15245367 0.80 CHKA (0.69) HRH3CHKAKDM4E
SCHEMBL23086594 0.80 HRH3 (0.45) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL1663338 0.79 SIGMAR1 (0.59) HRH3CYP2C19ALDH1A1CHRM1
SCHEMBL7299424 0.79 KDM4E (0.61) HRH3ALDH1A1KDM4EL3MBTL1

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-1311499-B1 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-04-12 EP claimed
US-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-03-28 US claimed
CN-113454086-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-03-14 CN disclosed
EP-1311499-B1 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-04-12 EP disclosed
US-6638967-B2 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO-MCNEIL PHAMRACEUTICAL, INC. 2003-10-28 US disclosed
EP-1311499-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 EP disclosed
US-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-03-28 US disclosed
WO-2002012224-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 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-20020037896-A1 Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine HRH4, HRH3, HRH2 HRH3 2/4885HRH4 1/4885CYP2D6 2890/4885

“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.