SCHEMBL1027652

SCHEMBL1027652

Cc1cc2c(cc1NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N1Cc3ccccc3C1)CCC(=O)N2C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.43
AHCY P23526 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
TRIM24 O15164 1/20 0.33
METAP2 P50579 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL1028069 0.93 ACKR3 (0.43) ACKR3AHCYMETAP2
SCHEMBL1027821 0.91 AHCY (0.35) ACKR3AHCYTRIM24CYP11B1CYP11B2
SCHEMBL1025625 0.85 AHCY (0.36) ACKR3AHCY
SCHEMBL1025935 0.85 ACKR3 (0.48) ACKR3AHCYMETAP2
SCHEMBL1028121 0.85 ACKR3 (0.48) ACKR3AHCY
Hydrochloric Acid SCHEMBL1026945 0.85 ACKR3 (0.38) ACKR3AHCYTRIM24
SCHEMBL1027778 0.83 ACKR3 (0.43) ACKR3AHCYMETAP2
SCHEMBL1027669 0.83 ACKR3 (0.46) ACKR3AHCY
Hydrochloric Acid SCHEMBL1027026 0.82 AHCY (0.38) ACKR3AHCYTRIM24CYP11B1CYP11B2
SCHEMBL1026039 0.82 ACKR3 (0.47) ACKR3AHCYMETAP2

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 4108/4885TMEM97 2107/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885AHCY 4/4885TMEM97 4359/4885

“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.