SCHEMBL4136060

SCHEMBL4136060

CC1CCCN1C1CCc2cc(-c3ccccc3OCc3ccccc3)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.43
CYP2D6 P10635 2/20 0.43
OTUD7B Q6GQQ9 2/20 0.41
BACE1 P56817 1/20 0.40
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
MCL1 Q07820 1/20 0.40
FABP4 P15090 1/20 0.39
PTGER1 P34995 2/20 0.38
USP30 Q70CQ3 1/20 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
SCHEMBL4127461 0.89 HTR2C (0.51) HRH3HTR2CHTR2A
SCHEMBL4136470 0.88 HRH3 (0.47) HRH3CYP2D6BACE1
SCHEMBL4135788 0.87 HRH3 (0.51) HRH3CYP2D6OTUD7BBACE1
SCHEMBL4142012 0.86 PDK1 (0.43) HRH3CYP2D6HTR2CHTR2A
SCHEMBL4141225 0.85 HRH3 (0.49) HRH3CYP2D6BACE1HTR2C
SCHEMBL4142009 0.85 HRH3 (0.48) HRH3CYP2D6BACE1
SCHEMBL4144748 0.85 HRH3 (0.49) HRH3CYP2D6OTUD7BBACE1HTR2C
SCHEMBL4148990 0.84 HRH3 (0.36) HRH3BACE1HTR2CHTR2A
SCHEMBL4766770 0.82 S1PR1 (0.45) HRH3HTR2CHTR2A
SCHEMBL4135556 0.81 CD274 (0.38) HRH3HTR2CHTR2A

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 HRH3 1/4885CYP2D6 1777/4885OTUD7B 1717/4885

“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.