SCHEMBL4136905

SCHEMBL4136905

COc1ccccc1-c1ccc2c(c1)CCC(N1CCCC1)C2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.44
HTR1A P08908 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HSD17B3 P37058 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
CHRNA7 P36544 2/20 0.41
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL4136665 0.90 HTR1A (0.46) HTR7HTR1ASIGMAR1PDCD1CD274
SCHEMBL4144409 0.87 TSHR (0.38) ALDH1A1GAA
SCHEMBL4136395 0.87 HTR2C (0.54) HTR7HTR1AHRH3GRIN2BALDH1A1
SCHEMBL4145755 0.86 HRH3 (0.47) HTR7HTR1AHRH3GRIN2BCHRNA7
SCHEMBL4145213 0.85 ADORA1 (0.42) ALDH1A1GAASIGMAR1
SCHEMBL4133564 0.85 HTR1A (0.48) HTR7HTR1AHRH3GRIN2B
SCHEMBL4142012 0.84 PDK1 (0.43) HTR7HRH3HSD17B3ALDH1A1PDK1
SCHEMBL4147542 0.83 SIGMAR1 (0.38) KCNH2SIGMAR1
SCHEMBL4142775 0.83 PDE7A (0.42) ALDH1A1GAASIGMAR1
SCHEMBL4144748 0.83 HRH3 (0.49) HTR7HTR1AHRH3GRIN2BCHRNA7

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 HTR7 7/4885HTR1A 19/4885HRH3 1/4885

“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.