SCHEMBL339859

SCHEMBL339859

Cc1nn(C)c(C)c1-c1cccc2c1CC[C@H](NC(C)C)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.64
HTR7 P34969 5/20 0.64
CHRM5 P08912 1/20 0.64
ADRA2A P08913 1/20 0.64
ADRA2B P18089 1/20 0.64
HTR1D P28221 1/20 0.64
HTR1B P28222 1/20 0.64
HTR3A P46098 1/20 0.64
HTR5A P47898 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
HPGD P15428 1/20 0.64
DRD2 P14416 7/20 0.53
DRD3 P35462 5/20 0.53
DRD4 P21917 3/20 0.35
BRD4 O60885 2/20 0.35
NMT1 P30419 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL338006 1.00 HTR1A (0.64) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL338585 0.87 HTR1A (0.68) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL338586 0.87 HTR1A (0.68) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL3319490 0.87 HTR1A (0.62) HTR1AHTR7CHRM5ADRA2AADRA2B
Hydrochloric Acid SCHEMBL3689918 0.86 HTR1A (0.67) HTR1AHTR7CHRM5ADRA2AADRA2B
Hydrochloric Acid SCHEMBL339585 0.86 HTR1A (0.67) HTR1AHTR7CHRM5ADRA2AADRA2B
Hydrochloric Acid SCHEMBL339586 0.86 HTR1A (0.67) HTR1AHTR7CHRM5ADRA2AADRA2B
Hydrochloric Acid SCHEMBL3689917 0.86 HTR1A (0.67) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL338853 0.81 HTR1A (0.60) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL338852 0.81 HTR1A (0.60) HTR1AHTR7CHRM5ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US claimed
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 US claimed
EP-2114893-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
WO-2008095689-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-14 WO claimed
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US disclosed
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US disclosed
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US disclosed
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 US disclosed
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 US disclosed
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 US disclosed
WO-2008095689-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-14 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-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS HTR7, HTR2C, HTR6 HTR1A 4/4885HTR7 1/4885CHRM5 327/4885

“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.