SCHEMBL1553968

SCHEMBL1553968

CN(C)CCc1cc(-c2c3c(nn2-c2ccccc2)CCCC3)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SRC P12931 1/20 0.38
DRD2 P14416 1/20 0.35
HRH3 Q9Y5N1 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RCE1 Q9Y256 1/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK10 P53779 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
ACHE P22303 2/20 0.33

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
SCHEMBL1574159 0.86 PDE4A (0.45) HTR2AHTR2CHTR2BSRCDRD2
SCHEMBL1574263 0.84 HTR7 (0.54) HTR7HTR2AHTR2CHTR2BDRD2
SCHEMBL1574111 0.82 HTR2A (0.46) HTR7HTR2AHTR2CHTR2BSRC
SCHEMBL1555443 0.80 HTR7 (0.54) HTR7MAPTALDH1A1
SCHEMBL1574063 0.78 HTR7 (0.57) HTR7MAPTNPSR1ALDH1A1
SCHEMBL21157448 0.72 HTR2A (0.68) HTR2AHTR2CHTR2BSRCPTGS1
SCHEMBL28699512 0.72 HTR2A (0.68) HTR2AHTR2CHTR2BSRCPTGS1
SCHEMBL28700876 0.71 PDE4A (0.61) HTR2AHTR2CHTR2BSRCL3MBTL1
SCHEMBL29374174 0.71 PDE4A (0.61) HTR2AHTR2CHTR2BSRCL3MBTL1
SCHEMBL8132350 0.70 PTGS2 (0.59) HTR2AHTR2CHTR2BSRCNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322842-A1 HETEROCYCYL-SUBSTITUTED-ALKYLAMINOPHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-12-20 US claimed
EP-2486016-A1 HETEROCYCYL-SUBSTITUTED-ALKYLAMINO PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-08-15 EP claimed
WO-2011042302-A1 HETEROCYCYL-SUBSTITUTED-ALKYLAMINO PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-14 WO claimed
EP-2308850-A1 Heterocycyl-substituted-alkylamino phenyl derivatives, their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-04-13 EP claimed
US-20120322842-A1 HETEROCYCYL-SUBSTITUTED-ALKYLAMINOPHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-12-20 US disclosed
US-20120322842-A1 HETEROCYCYL-SUBSTITUTED-ALKYLAMINOPHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-12-20 US disclosed
US-20120322842-A1 HETEROCYCYL-SUBSTITUTED-ALKYLAMINOPHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-12-20 US disclosed
EP-2486016-A1 HETEROCYCYL-SUBSTITUTED-ALKYLAMINO PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2012-08-15 EP disclosed
WO-2011042302-A1 HETEROCYCYL-SUBSTITUTED-ALKYLAMINO PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-14 WO disclosed
EP-2308850-A1 Heterocycyl-substituted-alkylamino phenyl derivatives, their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-04-13 EP 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-20120322842-A1 HETEROCYCYL-SUBSTITUTED-ALKYLAMINOPHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HTR7, HTR2C, HTR2A HTR7 1/4885HTR2A 3/4885HTR2C 2/4885

“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.