SCHEMBL17056325

SCHEMBL17056325

Cc1cc(N(Cc2cccc(CN3CC(C(=O)O)C3)c2)C(C)C)ccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.77

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
SCHEMBL17056292 0.87 S1PR1 (0.66) S1PR1
SCHEMBL17056473 0.87 S1PR1 (1.00) S1PR1
SCHEMBL17056318 0.85 S1PR1 (0.78) S1PR1
SCHEMBL17056319 0.84 S1PR1 (0.77) S1PR1
SCHEMBL17056323 0.84 S1PR1 (1.00) S1PR1
SCHEMBL17056320 0.84 S1PR1 (1.00) S1PR1
SCHEMBL17056302 0.83 S1PR1 (0.75) S1PR1
SCHEMBL17056304 0.83 S1PR1 (0.74) S1PR1
SCHEMBL17056305 0.83 S1PR1 (0.74) S1PR1
SCHEMBL17056309 0.81 S1PR1 (0.88) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988350-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-05 US disclosed
US-9988350-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-05 US disclosed
US-20170320821-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-11-09 US disclosed
US-20170320821-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-11-09 US disclosed
US-9718771-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-08-01 US disclosed
US-9718771-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-08-01 US disclosed
US-20160362368-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2016-12-15 US disclosed
US-20160362368-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2016-12-15 US disclosed
WO-2015129859-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF キッセイ薬品工業株式会社 2015-09-03 WO 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 (2 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-20160362368-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885
US-20170320821-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF S1PR3, S1PR1, S1PR2 S1PR1 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.