SCHEMBL4464567

SCHEMBL4464567

COC1CCN(Cc2ccc(NC(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
BCHE P06276 1/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
SRD5A2 P31213 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SLC2A1 P11166 1/20 0.51
FLT3 P36888 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
BACE1 P56817 1/20 0.49
LMNA P02545 1/20 0.49
GSK3B P49841 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
Trifluoroacetic Acid SCHEMBL4465727 0.95 ACHE (0.51) ACHEMAOAMAOBBCHEKDM4E
SCHEMBL4461598 0.90 ALDH1A1 (0.58) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4466439 0.89 SMN1; SMN2 (0.58) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4480562 0.87 ALDH1A1 (0.55) KDM4EALDH1A1CYP1A2CYP2C9HPGD
Hydrochloric Acid SCHEMBL4466303 0.86 ALDH1A1 (0.54) KDM4EALDH1A1CYP1A2CYP2C9HPGD
Trifluoroacetic Acid SCHEMBL4466676 0.85 KDM4E (0.52) ACHEMAOAMAOBBCHEKDM4E
Trifluoroacetic Acid SCHEMBL4474703 0.84 SMN1; SMN2 (0.53) ACHEMAOAMAOBBCHEKDM4E
SCHEMBL4470715 0.81 KDM4E (0.66) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL13864630 0.80 KDM4E (0.61) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4460774 0.79 KDM4E (0.64) MAOBKDM4EALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US claimed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US claimed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP claimed
US-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP disclosed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 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-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MCHR2, MCHR1, NPY2R ACHE 4423/4885MAOA 156/4885MAOB 136/4885

“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.