SCHEMBL3314796

SCHEMBL3314796

CN(C)C1CCc2c(cccc2-c2c(Cl)cccc2Cl)C1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.80
HTR7 P34969 17/20 0.80
DRD2 P14416 1/20 0.67
CHRM5 P08912 1/20 0.60
ADRA2A P08913 1/20 0.60
ADRA2B P18089 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR3A P46098 1/20 0.60
HTR5A P47898 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
HPGD P15428 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
SCHEMBL3320346 0.89 HTR1A (0.84) HTR1AHTR7DRD2
SCHEMBL26690374 0.89 HTR1A (1.00) HTR1AHTR7
SCHEMBL17274528 0.89 HTR1A (1.00) HTR1AHTR7
Hydrochloric Acid SCHEMBL26612792 0.87 HTR1A (0.97) HTR1AHTR7
Hydrochloric Acid SCHEMBL30584617 0.87 HTR1A (0.97) HTR1AHTR7
SCHEMBL18651000 0.84 HTR1A (0.69) HTR1AHTR7DRD2CHRM5ADRA2A
SCHEMBL3320340 0.84 HTR1A (0.69) HTR1AHTR7DRD2CHRM5ADRA2A
SCHEMBL3317010 0.83 HTR1A (0.80) HTR1AHTR7DRD2CHRM5ADRA2A
SCHEMBL9945843 0.80 HTR1A (1.00) HTR1AHTR7
SCHEMBL299671 0.79 HTR1A (1.00) HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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-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
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
US-20100105884-A1 METHOD FOR PRODUCING CHARGE CONTROL AGENT AND TONER HUBEI DINGLONG CHEMICAL CO., LTD. (CN) 2010-04-29 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
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 HTR1A 308/4885HTR7 158/4885DRD2 1527/4885

“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.