SCHEMBL4130547

SCHEMBL4130547

Clc1ccccc1-c1ccc2c(c1)CCC(N1CCCC1)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
GRIN2B Q13224 2/20 0.43
OPRM1 P35372 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
OPRD1 P41143 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
FAAH O00519 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
HTR1D P28221 2/20 0.39
MCHR1 Q99705 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37

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
SCHEMBL4133564 0.87 HTR1A (0.48) HTR1AHTR7GRIN2BOPRM1OPRK1
SCHEMBL4662823 0.85 HTR1A (0.46) HTR1AHTR7GRIN2BOPRM1OPRK1
SCHEMBL4127798 0.83 HTR1D (0.41) HTR1AHTR7GRIN2BOPRM1OPRK1
SCHEMBL4147604 0.82 HTR1A (0.47) HTR1AHTR7GRIN2BOPRM1OPRK1
SCHEMBL4137098 0.82 HTR1A (0.44) HTR1AHTR7GRIN2BOPRM1OPRK1
SCHEMBL4136905 0.82 HTR7 (0.44) HTR1AHTR7GRIN2BHRH3KDM2B
SCHEMBL4145248 0.82 GRIN2B (0.51) HTR1AHTR7GRIN2BOPRM1OPRK1
SCHEMBL4128118 0.82 PDK1 (0.42) OPRD1HRH3MCHR1PDK1PDK2
SCHEMBL4141665 0.81 HTR1A (0.44) HTR1AHTR7GRIN2BOPRM1OPRK1
SCHEMBL4145725 0.81 HTR1A (0.44) HTR1AHTR7GRIN2BOPRM1OPRK1

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 HTR1A 19/4885HTR7 7/4885GRIN2B 86/4885

“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.