SCHEMBL9945844

SCHEMBL9945844

CN(C)C1CCc2cc(-c3ccccc3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.55
HTR7 P34969 7/20 0.55
DRD2 P14416 4/20 0.53
DRD1 P21728 1/20 0.53
DRD3 P35462 3/20 0.53
DRD4 P21917 2/20 0.53
HTR2C P28335 5/20 0.47
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
HRH3 Q9Y5N1 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL16687771 0.87 DRD2 (0.49) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL9945845 0.85 DRD2 (0.48) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL9945841 0.85 HTR1A (0.64) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL29236103 0.85 HTR1A (0.58) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL9945839 0.83 HTR1A (0.66) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL9945846 0.83 HTR1A (0.66) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL823058 0.79 HTR1A (0.61) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL1950024 0.79 HTR1A (0.61) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL822940 0.79 HTR1A (0.61) HTR1AHTR7DRD2DRD1DRD3
SCHEMBL29507805 0.79 HTR1A (0.61) HTR1AHTR7DRD2DRD1DRD3

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-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-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 HTR1A 13/4885HTR7 22/4885DRD2 409/4885
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds HTR2C, HTR2A, HTR3C HTR1A 9/4885HTR7 22/4885DRD2 746/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTR1A 13/4885HTR7 22/4885DRD2 409/4885

“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.