SCHEMBL3315780

SCHEMBL3315780

CC(C)N(C)C1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.58
DRD3 P35462 8/20 0.58
HTR1D P28221 2/20 0.58
DRD4 P21917 5/20 0.49
HTR5A P47898 1/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 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
SCHEMBL3315773 1.00 DRD2 (0.58) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL3316599 0.90 DRD2 (0.62) DRD2DRD3HTR1DDRD4HTR1A
SCHEMBL3320908 0.90 DRD2 (0.62) DRD2DRD3HTR1DDRD4HTR1A
SCHEMBL3316605 0.90 DRD2 (0.62) DRD2DRD3HTR1DDRD4HTR1A
SCHEMBL338383 0.83 DRD2 (0.57) DRD2DRD3HTR1DDRD4
SCHEMBL338382 0.83 DRD2 (0.57) DRD2DRD3HTR1DDRD4
SCHEMBL338959 0.76 DRD2 (0.52) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL338960 0.76 DRD2 (0.52) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL10043006 0.75 DRD2 (0.51) DRD2DRD3HTR1DDRD4
SCHEMBL10043014 0.75 DRD2 (0.51) DRD2DRD3HTR1DDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 US disclosed
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
EP-2142511-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-01-13 EP disclosed
WO-2008116663-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-02 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 (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-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HNMT, NNT, NQO1 DRD2 1527/4885DRD3 1739/4885HTR1D 1172/4885

“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.