SCHEMBL4136602

SCHEMBL4136602

Cc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MCOLN3 Q8TDD5 2/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4130044 0.84 HRH3 (0.37) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4133474 0.83 USP30 (0.46) ALDH1A1MAPT
SCHEMBL4140206 0.81 HRH3 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4139649 0.80 HRH3 (0.37) CYP1A2CYP3A4CYP2C9
SCHEMBL4140976 0.79 MCHR1 (0.36) CYP1A2CYP2C9CYP2C19
SCHEMBL4142343 0.79 HRH3 (0.40) CYP1A2CYP3A4CYP2C9
SCHEMBL4143358 0.78 USP30 (0.43)
SCHEMBL4145105 0.78 HRH3 (0.34)
SCHEMBL4141100 0.78 HRH3 (0.38) CYP1A2CYP3A4CYP2C9
SCHEMBL4131343 0.78 ASIC3 (0.37)

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 1 patent. 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

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 ALDH1A1 1667/4885MCOLN3 733/4885POLB 2498/4885

“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.