SCHEMBL6057476

SCHEMBL6057476

c1cn(Cc2ccc(Cc3ccc(Cn4ccnc4)cc3)cc2)cn1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.75
CYP11B2 P19099 9/20 0.75
CYP19A1 P11511 7/20 0.75
CYP2A6 P11509 1/20 0.75
CYP2B6 P20813 1/20 0.75
TBXAS1 P24557 2/20 0.71
CYP1A2 P05177 1/20 0.71
POLB P06746 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
MAPT P10636 1/20 0.71
QPCT Q16769 1/20 0.71
CYP4Z1 Q86W10 1/20 0.71
QPCTL Q9NXS2 1/20 0.71
CYP17A1 P05093 1/20 0.68
CYP51A1 Q16850 1/20 0.60

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
SCHEMBL1024261 0.94 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1775141 0.91 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2529997 0.88 CYP11B1 (0.86) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL570342 0.86 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2729830 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL210793 0.85 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL13006744 0.85 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL2393534 0.84 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL7284368 0.84 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL6878562 0.84 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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
EP-1311499-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 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
WO-2002012224-A2 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO claimed
EP-1311499-B1 BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2006-04-12 EP 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 CYP11B1 4730/4885CYP11B2 4728/4885CYP19A1 4381/4885

“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.