SCHEMBL1874227

SCHEMBL1874227

O=C(O)CCN1CCc2c([nH]c3cc(OCCCc4ccc(Cl)cc4)ccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.51
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR5 Q9H228 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL676600 0.92 GRIN2B (0.61) GRIN2BS1PR1S1PR3S1PR5SIGMAR1
Trifluoroacetic Acid SCHEMBL1872495 0.87 GRIN2B (0.55) GRIN2BS1PR1S1PR3S1PR5SIGMAR1
SCHEMBL675978 0.85 GRIN2B (0.61) GRIN2BS1PR1S1PR3S1PR5SIGMAR1
Trifluoroacetic Acid SCHEMBL1869763 0.77 MCHR1 (0.47) S1PR1S1PR3S1PR5
SCHEMBL21723856 0.77 BAZ2B (0.52) GRIN2B
SCHEMBL21731904 0.72 MEN1 (0.48) GRIN2BHDAC1HDAC6
Hydrochloric Acid SCHEMBL949123 0.70 S1PR1 (0.60) S1PR1S1PR3S1PR5
SCHEMBL21731641 0.69 MEN1 (0.50) SIGMAR1
Trifluoroacetic Acid SCHEMBL1869771 0.69 S1PR1 (0.74) S1PR1S1PR3SIGMAR1
SCHEMBL21731502 0.68 LMNA (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP claimed
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-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

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 GRIN2B 939/4885S1PR1 3/4885S1PR3 15/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 GRIN2B 939/4885S1PR1 3/4885S1PR3 15/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 GRIN2B 939/4885S1PR1 3/4885S1PR3 15/4885

“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.