SCHEMBL4135895

SCHEMBL4135895

CC1CCCN1C1CCc2cc(-c3cncnc3)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.40
CYP11B2 P19099 6/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 2/20 0.36
ASIC3 Q9UHC3 1/20 0.35
DRD2 P14416 3/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
USP30 Q70CQ3 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
HTR1B P28222 1/20 0.32

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
SCHEMBL3323501 0.87 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL3323503 0.87 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL3324853 0.87 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4139788 0.87 CYP11B2 (0.39) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4139793 0.87 CYP11B2 (0.39) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4128108 0.85 CYP11B1 (0.38) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4142343 0.84 HRH3 (0.40) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4140206 0.84 HRH3 (0.40) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4139649 0.83 HRH3 (0.37) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4136847 0.83 HRH3 (0.39) HRH3KCNH2DRD2CHRNB4CHRNA3

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
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 CYP11B1 810/4885CYP11B2 745/4885CYP1A2 1220/4885

“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.