SCHEMBL3312973

SCHEMBL3312973

Cc1noc(C)c1-c1cccc2c1CCC(N(C)C)C2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.64
HTR7 P34969 17/20 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 1/20 0.60

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
SCHEMBL3320340 0.81 HTR1A (0.69) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL18651000 0.81 HTR1A (0.69) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL339245 0.80 DRD2 (0.50) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL3320785 0.79 HTR1A (0.63) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL339244 0.79 HTR1A (0.41) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL3315799 0.79 HTR1A (0.63) HTR1AHTR7CHRM5ADRA2AADRA2B
Hydrochloric Acid SCHEMBL3317883 0.78 HTR1A (0.61) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL3314221 0.78 HTR1A (1.00) HTR1AHTR7CHRM5ADRA2AADRA2B
Hydrochloric Acid SCHEMBL4651195 0.78 HTR1A (0.61) HTR1AHTR7CHRM5ADRA2AADRA2B
SCHEMBL273109 0.78 HTR1A (1.00) 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 28 patents — showing the first 20. 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 claimed
US-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US claimed
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 claimed
EP-2148674-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP claimed
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 claimed
WO-2008145335-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-04 WO claimed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP claimed
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 claimed
EP-1975161-A1 Heterocyclyl-substituted- tetrahydro-napthalen-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-10-01 EP claimed
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-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-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-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
US-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 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
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
EP-1975161-A1 Heterocyclyl-substituted- tetrahydro-napthalen-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-10-01 EP disclosed
EP-1975161-A1 Heterocyclyl-substituted- tetrahydro-napthalen-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-10-01 EP 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 (2 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-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND OPRL1, OPRM1, OPRK1 HTR1A 8/4885HTR7 5/4885CHRM5 93/4885
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HNMT, NNT, NQO1 HTR1A 308/4885HTR7 158/4885CHRM5 787/4885

“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.