SCHEMBL1028518

SCHEMBL1028518

Cc1noc(-c2ccc(C)c(NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N3Cc4ccc(F)cc4C3)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.37
GPR119 Q8TDV5 1/20 0.32
NPY2R P49146 1/20 0.31
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PTPN1 P18031 1/20 0.31
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL1025930 0.93 ACKR3 (0.41) ACKR3GPR119NPY2RTBK1
SCHEMBL1027668 0.92 NPY2R (0.34) ACKR3GPR119NPY2RPTPN1
SCHEMBL1026128 0.90 ACKR3 (0.37) ACKR3GPR119
SCHEMBL1024673 0.86 ACKR3 (0.37) ACKR3KCNH2TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL1029002 0.86 NPY2R (0.32) ACKR3NPY2R
SCHEMBL1028770 0.85 NPY2R (0.36) ACKR3GPR119NPY2RTBK1
SCHEMBL1029781 0.85 ACKR3 (0.44) ACKR3
SCHEMBL1026528 0.84 NPY2R (0.32) NPY2RKCNH2
Hydrochloric Acid SCHEMBL1026983 0.84 NPY2R (0.32) NPY2R
SCHEMBL1028243 0.83 ACKR3 (0.41) ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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 (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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 ACKR3 1777/4885GPR119 644/4885NPY2R 2353/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885GPR119 2613/4885NPY2R 4843/4885

“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.