SCHEMBL3338744

SCHEMBL3338744

COc1cccc(OC)c1-c1cccc(CCN)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.68
HTR1A P08908 1/20 0.68
TAAR1 Q96RJ0 5/20 0.57
KDM4E B2RXH2 1/20 0.54
ATM Q13315 1/20 0.54
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
MAOB P27338 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
GLA P06280 1/20 0.50
MEN1 O00255 1/20 0.49
APEX1 P27695 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47

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
Methylamine SCHEMBL4679353 0.81 HTR7 (0.61) HTR7HTR1ATAAR1ATMHTR2A
SCHEMBL3339158 0.81 HTR7 (0.64) HTR7HTR1ATAAR1ATMTSHR
SCHEMBL3336197 0.81 HTR7 (1.00) HTR7HTR1ATAAR1CYP1A2CYP3A4
SCHEMBL3341529 0.78 HTR7 (0.74) HTR7HTR1AHTR2AHTR2B
SCHEMBL30865706 0.78 HTR1A (0.58) HTR7HTR1AKDM4EMAPK1LMNA
SCHEMBL3336140 0.77 HTR7 (0.72) HTR7HTR1AHTR2AHTR2B
Hydrochloric Acid SCHEMBL3841387 0.77 MAOB (0.79) HTR7TAAR1MAOB
SCHEMBL4679361 0.76 HTR7 (0.74) HTR7HTR1AKDM4ECYP1A2CYP3A4
SCHEMBL10287112 0.75 HTR7 (0.66) HTR7HTR1A
SCHEMBL1048316 0.75 HTR7 (0.61) HTR7TAAR1CYP1A2HTR2AHTR2C

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 9 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
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
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 1355/4885TAAR1 3650/4885

“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.