SCHEMBL1028069

SCHEMBL1028069

CCN1C(=O)CCc2cc(NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N3Cc4ccccc4C3)c(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 8/20 0.43
AHCY P23526 3/20 0.36
METAP2 P50579 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL1027652 0.93 ACKR3 (0.43) ACKR3AHCYMETAP2
SCHEMBL1025625 0.92 AHCY (0.36) ACKR3AHCYLMNATP53POLB
SCHEMBL1027821 0.86 AHCY (0.35) ACKR3AHCYLMNA
SCHEMBL1027318 0.86 ACKR3 (0.38) ACKR3AHCYLMNATP53POLB
Hydrochloric Acid SCHEMBL1026548 0.85 ACKR3 (0.37) ACKR3AHCYLMNATP53POLB
SCHEMBL1025804 0.84 AHCY (0.38) ACKR3AHCYLMNATP53POLB
SCHEMBL1025935 0.84 ACKR3 (0.48) ACKR3AHCYMETAP2
SCHEMBL1028121 0.84 ACKR3 (0.48) ACKR3AHCY
Hydrochloric Acid SCHEMBL1028375 0.84 AHCY (0.39) ACKR3AHCYLMNATP53POLB
SCHEMBL1027669 0.83 ACKR3 (0.46) ACKR3AHCYLMNATP53MAPT

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 1777/4885AHCY 4108/4885METAP2 1767/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885AHCY 4/4885METAP2 308/4885

“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.