SCHEMBL3336727

SCHEMBL3336727

Cc1nn(C)c(C)c1-c1cccc(CC[N+](C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.68
HTR1A P08908 1/20 0.68
CHRM2 P08172 4/20 0.44
CHRM1 P11229 4/20 0.44
CHRM3 P20309 4/20 0.44
NMT1 P30419 5/20 0.44
BRD4 O60885 1/20 0.43
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40
CREBBP Q92793 1/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CARM1 Q86X55 1/20 0.38

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
SCHEMBL3340710 0.90 HTR7 (0.65) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3338503 0.83 HTR7 (0.71) HTR7HTR1ANMT1BRD4FFAR1
Hydrochloric Acid SCHEMBL3338055 0.82 HTR7 (0.70) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3337502 0.81 HTR7 (1.00) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3336635 0.81 HTR7 (0.68) HTR7HTR1ACHRM2CHRM1CHRM3
SCHEMBL29388378 0.81 HTR7 (1.00) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL2828496 0.80 HTR7 (0.67) HTR7HTR1ANMT1BRD4FFAR1
Hydrochloric Acid SCHEMBL3340322 0.80 HTR7 (0.97) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3341900 0.79 HTR7 (0.65) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3338906 0.79 HTR7 (0.77) HTR7HTR1ANMT1BRD4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US claimed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
EP-2114894-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-11 EP disclosed
WO-2008077625-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-07-03 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-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments PKM, PKLR, HNMT HTR7 630/4885HTR1A 1355/4885CHRM2 8/4885

“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.