SCHEMBL4139873

SCHEMBL4139873

COc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.46
CYP3A4 P08684 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
TDP2 O95551 1/20 0.40
ABHD6 Q9BV23 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SCD O00767 1/20 0.36
FAAH O00519 1/20 0.36
PTGS2 P35354 2/20 0.36
PIK3CA P42336 1/20 0.36
PTGS1 P23219 1/20 0.35
MCHR1 Q99705 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL4152600 0.90 PDE4B (0.40) ALDH1A1MAPK1
SCHEMBL4145313 0.88 CRHBP (0.44) NAAACYP3A4CYP11B1CYP11B2HRH3
SCHEMBL4128192 0.88 HRH3 (0.39) CYP3A4CYP11B1CYP11B2HRH3MCHR1
SCHEMBL4135531 0.86 S1PR1 (0.42) HRH3ALDH1A1MCHR1
SCHEMBL4152825 0.86 L3MBTL1 (0.38) HRH3ALDH1A1
SCHEMBL4136470 0.84 HRH3 (0.47) HRH3
SCHEMBL4128725 0.84 OPRM1 (0.40) CYP11B2HRH3ALDH1A1MCHR1
SCHEMBL4143136 0.84 OPRM1 (0.40) CYP11B2HRH3ALDH1A1MCHR1
SCHEMBL4136479 0.84 NAAA (0.51) NAAACYP3A4CYP11B1CYP11B2TDP2
SCHEMBL4143141 0.84 OPRM1 (0.40) CYP11B2HRH3ALDH1A1MCHR1

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 4 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
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US disclosed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP disclosed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 NAAA 1585/4885CYP3A4 1672/4885CYP11B1 810/4885

“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.