SCHEMBL9945845

SCHEMBL9945845

CN(C)C1CCc2cc(-c3cccc(Br)c3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
DRD1 P21728 1/20 0.48
HTR1A P08908 11/20 0.47
HTR7 P34969 11/20 0.47
CHRM3 P20309 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL9945844 0.85 HTR1A (0.55) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL16687771 0.84 DRD2 (0.49) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL30612418 0.84 DRD2 (0.57) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL9945841 0.83 HTR1A (0.64) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL9945839 0.81 HTR1A (0.66) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL9945846 0.81 HTR1A (0.66) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL8231967 0.79 CYP1A2 (0.66) HRH3
SCHEMBL12619936 0.75 TDP2 (0.53)
SCHEMBL29236103 0.74 HTR1A (0.58) DRD2DRD4DRD3DRD1HTR1A
SCHEMBL20910187 0.72 DRD2 (0.59) DRD2DRD4DRD3DRD1HTR1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-10 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
WO-2010129048-A2 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-11-11 WO 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 (3 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 DRD2 409/4885DRD4 883/4885DRD3 510/4885
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds HTR2C, HTR2A, HTR3C DRD2 746/4885DRD4 1154/4885DRD3 962/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 DRD2 409/4885DRD4 883/4885DRD3 510/4885

“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.