SCHEMBL3319490

SCHEMBL3319490

Cc1nn(C)c(C)c1-c1cccc2c1CCC(NCC(C)C)C2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.62
CHRM5 P08912 1/20 0.62
ADRA2A P08913 1/20 0.62
ADRA2B P18089 1/20 0.62
HTR1D P28221 1/20 0.62
HTR1B P28222 1/20 0.62
HTR7 P34969 1/20 0.62
HTR3A P46098 1/20 0.62
HTR5A P47898 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
HPGD P15428 1/20 0.62
DRD2 P14416 13/20 0.39
DRD3 P35462 9/20 0.39
DRD4 P21917 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.34

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 0.87 HTR1A (0.64) HTR1ACHRM5ADRA2AADRA2BHTR1D
SCHEMBL339859 0.87 HTR1A (0.64) HTR1ACHRM5ADRA2AADRA2BHTR1D
SCHEMBL338586 0.85 HTR1A (0.68) HTR1ACHRM5ADRA2AADRA2BHTR1D
SCHEMBL338585 0.85 HTR1A (0.68) HTR1ACHRM5ADRA2AADRA2BHTR1D
SCHEMBL338852 0.85 HTR1A (0.60) HTR1ACHRM5ADRA2AADRA2BHTR1D
SCHEMBL338853 0.85 HTR1A (0.60) HTR1ACHRM5ADRA2AADRA2BHTR1D
Hydrochloric Acid SCHEMBL339585 0.84 HTR1A (0.67) HTR1ACHRM5ADRA2AADRA2BHTR1D
Hydrochloric Acid SCHEMBL3689918 0.84 HTR1A (0.67) HTR1ACHRM5ADRA2AADRA2BHTR1D
Hydrochloric Acid SCHEMBL339586 0.84 HTR1A (0.67) HTR1ACHRM5ADRA2AADRA2BHTR1D
Hydrochloric Acid SCHEMBL3689917 0.84 HTR1A (0.67) HTR1ACHRM5ADRA2AADRA2BHTR1D

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 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
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

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 308/4885CHRM5 787/4885ADRA2A 632/4885

“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.