SCHEMBL1713769

SCHEMBL1713769

O=CC1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
DPP4 P27487 1/20 0.43
RORC P51449 3/20 0.42
S1PR5 Q9H228 2/20 0.42
S1PR1 P21453 1/20 0.42
CCR5 P51681 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNA5 P22460 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
FUCA1 P04066 2/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL1714572 1.00 SIGMAR1 (0.47) SIGMAR1DPP4RORCS1PR5S1PR1
SCHEMBL6904062 0.89 DRD4 (0.41) SIGMAR1DPP4RORCCCR5SLC6A2
SCHEMBL1713642 0.87 SIGMAR1 (0.47) SIGMAR1DPP4RORCS1PR5S1PR1
SCHEMBL1713626 0.87 SIGMAR1 (0.47) SIGMAR1DPP4RORCS1PR5S1PR1
SCHEMBL1713640 0.87 SIGMAR1 (0.47) SIGMAR1DPP4RORCS1PR5S1PR1
SCHEMBL5266055 0.85 CCR5 (0.50) SIGMAR1DPP4RORCS1PR5S1PR1
SCHEMBL7817702 0.85 CCR5 (0.50) SIGMAR1DPP4RORCS1PR5S1PR1
SCHEMBL7827978 0.85 CCR5 (0.50) SIGMAR1DPP4RORCS1PR5S1PR1
SCHEMBL4105592 0.85 CCR5 (0.50) SIGMAR1DPP4RORCS1PR5S1PR1
SCHEMBL14224261 0.85 CCR5 (0.50) SIGMAR1DPP4RORCS1PR5S1PR1

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
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP disclosed
US-8012998-B2 Pyrrolidine aryl-ether as NK-3 receptor antagonists Hoffmann—La Roche Inc. (US) 2011-09-06 US disclosed
EP-2185540-B1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
EP-2185540-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009019163-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
US-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 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 (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-20090042896-A1 PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 SIGMAR1 100/4885DPP4 1660/4885RORC 517/4885

“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.