SCHEMBL4136665

SCHEMBL4136665

COc1cccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)c1F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
DYRK1A Q13627 1/20 0.40
CD274 Q9NZQ7 2/20 0.39
PDCD1 Q15116 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
APP P05067 2/20 0.39
BACE1 P56817 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 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 0.90 HTR7 (0.44) HTR1AHTR7CD274PDCD1SIGMAR1
SCHEMBL4141684 0.85 BACE1 (0.37) HTR7DYRK1ACD274SIGMAR1APP
SCHEMBL4136479 0.82 NAAA (0.51) HTR1AHTR7
SCHEMBL4136395 0.80 HTR2C (0.54) HTR1AHTR7HTR2CHTR2A
SCHEMBL4144409 0.80 TSHR (0.38) BACE1CCNT1CDK9DRD2
SCHEMBL4145213 0.80 ADORA1 (0.42) SIGMAR1DRD2
SCHEMBL4145755 0.79 HRH3 (0.47) HTR1AHTR7CD274PDCD1BACE1
SCHEMBL4128005 0.78 CD274 (0.50) HTR1ACD274PDCD1SIGMAR1HTR2C
SCHEMBL4147542 0.78 SIGMAR1 (0.38) SIGMAR1DRD2
SCHEMBL4142775 0.78 PDE7A (0.42) SIGMAR1DRD2

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 HTR1A 19/4885HTR7 7/4885DYRK1A 2047/4885

“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.