SCHEMBL9945846

SCHEMBL9945846

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.66
HTR7 P34969 11/20 0.66
ASIC3 Q9UHC3 1/20 0.53
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
DRD1 P21728 1/20 0.46
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
KDM1A O60341 1/20 0.43
HTR6 P50406 1/20 0.42

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 0.83 HTR1A (0.55) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL16687771 0.82 DRD2 (0.49) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL9945841 0.81 HTR1A (0.64) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL9945845 0.81 DRD2 (0.48) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL9945840 0.80 HTR1A (1.00) HTR1AHTR7
SCHEMBL9945839 0.79 HTR1A (0.66) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL4130668 0.74 ASIC3 (0.46) HTR1AHTR7ASIC3HTR2AHTR2C
SCHEMBL11142645 0.73 CHRNB2 (0.46) ASIC3HTR2AHTR2CHTR2B
SCHEMBL20096104 0.73 HTR1A (0.55) HTR1AHTR7HTR2AHTR2CHTR2B
SCHEMBL20095825 0.73 HTR1A (0.55) HTR1AHTR7HTR2AHTR2CHTR2B

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 9 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-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 22/4885ASIC3 980/4885
US-10017458-B2 Therapeutic tetrahydronaphthalene compounds HTR2C, HTR2A, HTR3C HTR1A 9/4885HTR7 22/4885ASIC3 2043/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTR1A 13/4885HTR7 22/4885ASIC3 980/4885

“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.