SCHEMBL3768933

SCHEMBL3768933

Cc1n[nH]c2nccc(OC3CCN(C(C)C)CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.43
LRRK2 Q5S007 1/20 0.40
SLC5A7 Q9GZV3 4/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 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
SCHEMBL415723 0.80 LRRK2 (0.51) HRH3LRRK2
SCHEMBL30646269 0.71 SGK1 (0.41) HRH3
SCHEMBL5532727 0.70 HRH3 (0.42) HRH3SLC5A7CYP2D6CYP3A4
SCHEMBL27367434 0.70 SGK1 (0.49) HRH3
Hydrochloric Acid SCHEMBL2877795 0.69 SLC5A7 (0.45) HRH3SLC5A7CYP2D6CYP3A4
SCHEMBL15062002 0.67 HRH3 (0.50) HRH3
SCHEMBL27323644 0.66 SGK1 (0.60)
SCHEMBL20069050 0.66 OGA (0.52) HRH3
SCHEMBL5405638 0.66 HRH3 (0.42) HRH3
SCHEMBL19111213 0.66 HRH3 (0.57) HRH3SLC5A7CYP2D6CYP3A4

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-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed

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-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 HRH3 23/4885LRRK2 2208/4885SLC5A7 536/4885

“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.