SCHEMBL9945839

SCHEMBL9945839

COc1cccc(-c2ccc3c(c2)CCC(N(C)C)C3)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.66
HTR7 P34969 4/20 0.66
DRD2 P14416 7/20 0.52
DRD3 P35462 6/20 0.52
DRD4 P21917 6/20 0.52
CHRM2 P08172 2/20 0.50
CHRM3 P20309 2/20 0.50
CHRM1 P11229 1/20 0.50
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
SLC6A3 Q01959 2/20 0.46
DRD1 P21728 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CD274 Q9NZQ7 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL5713209 0.84 CYP1A2 (0.58) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL9945844 0.83 HTR1A (0.55) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL16687771 0.82 DRD2 (0.49) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL9945841 0.81 HTR1A (0.64) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL9945845 0.81 DRD2 (0.48) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL9945842 0.80 HTR1A (1.00) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL9945846 0.79 HTR1A (0.66) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL10977596 0.79 DRD2 (0.68) HTR1AHTR7DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL10977597 0.77 DRD2 (0.66) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL4128005 0.76 CD274 (0.50) HTR1ADRD3DRD4CHRM2CHRM3

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 22/4885DRD2 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.