SCHEMBL1025930

SCHEMBL1025930

Cc1noc(-c2ccc(C)c(NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N3Cc4ccccc4C3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.41
GPR119 Q8TDV5 1/20 0.34
AHCY P23526 1/20 0.33
NPY2R P49146 1/20 0.33
KIT P10721 3/20 0.32
TBK1 Q9UHD2 2/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
USP30 Q70CQ3 1/20 0.31
IKBKE Q14164 1/20 0.31

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
SCHEMBL1028518 0.93 ACKR3 (0.37) ACKR3GPR119NPY2RTBK1
SCHEMBL1028770 0.92 NPY2R (0.36) ACKR3GPR119AHCYNPY2RKIT
SCHEMBL1028243 0.89 ACKR3 (0.41) ACKR3AHCY
SCHEMBL1025418 0.89 ACKR3 (0.41) ACKR3GPR119AHCYKIT
SCHEMBL1027206 0.89 ACKR3 (0.41) ACKR3GPR119AHCY
SCHEMBL1027778 0.88 ACKR3 (0.43) ACKR3AHCY
SCHEMBL1026472 0.88 ACKR3 (0.41) ACKR3AHCYKIT
SCHEMBL1027083 0.87 ACKR3 (0.41) ACKR3AHCY
SCHEMBL1027490 0.87 ACKR3 (0.43) ACKR3AHCYKIT
SCHEMBL1027928 0.87 ACKR3 (0.42) ACKR3AHCY

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 644/4885AHCY 4108/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885GPR119 2613/4885AHCY 4/4885

“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.