SCHEMBL4136395

SCHEMBL4136395

CCOc1ccccc1-c1ccc2c(c1)CCC(N1CCCC1)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.54
HTR2A P28223 3/20 0.54
PTPRC P08575 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
DHFR P00374 1/20 0.41
GRIN2B Q13224 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
NR3C1 P04150 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4136905 0.87 HTR7 (0.44) HTR1AHTR7GRIN2BHRH3ALDH1A1
SCHEMBL4144748 0.87 HRH3 (0.49) HTR2CHTR2AHTR1AHTR7GRIN2B
SCHEMBL4127461 0.85 HTR2C (0.51) HTR2CHTR2APTPRCDHFRNR3C1
SCHEMBL4145725 0.84 HTR1A (0.44) HTR2CHTR2AHTR1AHTR7GRIN2B
SCHEMBL4145755 0.83 HRH3 (0.47) HTR1AHTR7GRIN2BOPRM1OPRK1
SCHEMBL4148823 0.82 HTR2A (0.41) HTR2CHTR2AHRH3CYP1A2CYP11B1
SCHEMBL4133459 0.82 HTR2C (0.44) HTR2CHTR2AHTR1AHRH3CYP1A2
SCHEMBL4133564 0.82 HTR1A (0.48) HTR1AHTR7GRIN2BOPRM1OPRK1
SCHEMBL4136665 0.80 HTR1A (0.46) HTR2CHTR2AHTR1AHTR7
SCHEMBL4130547 0.80 HTR1A (0.46) HTR2CHTR2AHTR1AHTR7GRIN2B

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 HTR2C 9/4885HTR2A 26/4885PTPRC 2373/4885

“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.