SCHEMBL3337703

SCHEMBL3337703

COc1cccc(Cl)c1-c1cccc(CCN(C)C)c1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.82
HTR1A P08908 5/20 0.82
HTR1D P28221 3/20 0.55
HTR1B P28222 3/20 0.55
HTR2A P28223 3/20 0.55
HTR2B P41595 3/20 0.55
HTR5A P47898 3/20 0.55
HTR1E P28566 2/20 0.55
HTR6 P50406 1/20 0.55
TAAR1 Q96RJ0 4/20 0.51
GRIA1 P42261 1/20 0.46
CACNG8 Q8WXS5 1/20 0.46
MELK Q14680 1/20 0.41
AOC3 Q16853 1/20 0.40
CTSA P10619 1/20 0.40
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3336197 0.90 HTR7 (1.00) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL13303625 0.87 HTR7 (0.73) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL3340624 0.81 HTR7 (0.54) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL3338568 0.79 HTR7 (1.00) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL4679361 0.77 HTR7 (0.74) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL3340578 0.76 HTR7 (1.00) HTR7HTR1ATAAR1AOC3ACHE
SCHEMBL3341529 0.76 HTR7 (0.74) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL3336140 0.75 HTR7 (0.72) HTR7HTR1AHTR1DHTR1BHTR2A
Dimethylamine SCHEMBL4678984 0.73 HTR7 (0.91) HTR7HTR1AHTR6TAAR1AOC3
SCHEMBL3338744 0.72 HTR7 (0.68) HTR7HTR1AHTR2AHTR2BTAAR1

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 6 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

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 1355/4885HTR1D 1463/4885

“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.