SCHEMBL1875671

SCHEMBL1875671

c1ccc(COc2ccc3c4c([nH]c3c2)CNCC4)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.63
ADRA2A P08913 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
HTR7 P34969 1/20 0.63
MCHR1 Q99705 6/20 0.60
CYP3A4 P08684 2/20 0.59
KDM4E B2RXH2 1/20 0.55
HTR5A P47898 1/20 0.55
NR2E1 Q9Y466 1/20 0.55
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL25634009 0.91 MCHR1 (0.70) NISCHADRA2AADRA2BADRA2CHTR7
SCHEMBL2978779 0.90 LMNA (0.63) NISCHADRA2AADRA2BADRA2CHTR7
SCHEMBL11421412 0.84 MCHR1 (0.88) MCHR1CYP3A4
Hydrochloric Acid SCHEMBL3477107 0.83 MCHR1 (0.86) MCHR1CYP3A4
SCHEMBL31153237 0.81 MCHR1 (0.61) MCHR1CYP3A4CTSVCTSLLMNA
SCHEMBL25634129 0.81 MCHR1 (0.61) MCHR1CYP3A4CTSVCTSLLMNA
SCHEMBL25634070 0.80 MCHR1 (0.57) NISCHADRA2AADRA2BADRA2CHTR7
SCHEMBL25634007 0.79 MCHR1 (0.61) MCHR1CYP3A4CTSVCTSLMAOA
SCHEMBL18870180 0.77 MCHR1 (0.75) MCHR1CYP3A4
SCHEMBL12927682 0.76 MCHR1 (1.00) MCHR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-8575134-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-11-05 US disclosed
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP disclosed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP disclosed
US-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed
US-7906549-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 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 (3 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-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 NISCH 4010/4885ADRA2A 1219/4885ADRA2B 1060/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 NISCH 4010/4885ADRA2A 1219/4885ADRA2B 1060/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 NISCH 4010/4885ADRA2A 1219/4885ADRA2B 1060/4885

“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.