SCHEMBL3340952

SCHEMBL3340952

Cc1nn(C)c(C)c1-c1cccc(CCN(CC(C)C)CC(C)C)c1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.76
HTR1A P08908 2/20 0.76
NMT1 P30419 7/20 0.47
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
BRD4 O60885 1/20 0.39
FFAR1 O14842 1/20 0.38
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL13303624 0.89 HTR7 (0.74) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3338906 0.86 HTR7 (0.77) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL29388378 0.86 HTR7 (1.00) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3337502 0.86 HTR7 (1.00) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3339562 0.85 HTR7 (0.75) HTR7HTR1ANMT1OPRM1OPRD1
Hydrochloric Acid SCHEMBL3340322 0.85 HTR7 (0.97) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL13303628 0.80 HTR7 (0.77) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3338503 0.78 HTR7 (0.71) HTR7HTR1ANMT1BRD4FFAR1
Hydrochloric Acid SCHEMBL3338055 0.77 HTR7 (0.70) HTR7HTR1ANMT1BRD4FFAR1
SCHEMBL3336727 0.76 HTR7 (0.68) 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 4 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
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 claimed
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 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

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 1355/4885NMT1 4059/4885

“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.