SCHEMBL1197789

SCHEMBL1197789

CC(C)N(CCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cccc(-c2ccccc2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.39
AHCY P23526 1/20 0.37
BRD4 O60885 1/20 0.35
MMP9 P14780 4/20 0.33
MMP1 P03956 3/20 0.33
MMP3 P08254 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAM9 Q13443 1/20 0.33
F2 P00734 2/20 0.33
GHSR Q92847 3/20 0.32
MMP2 P08253 2/20 0.32
MMP14 P50281 2/20 0.32
GPR88 Q9GZN0 1/20 0.31
STAT5B P51692 1/20 0.31
ACLY P53396 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
NAMPT P43490 1/20 0.30
METAP2 P50579 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
SCHEMBL1026022 0.87 ACKR3 (0.37) ACKR3AHCYMMP9MMP1MMP3
SCHEMBL1026980 0.84 AHCY (0.37) ACKR3AHCYMMP9MMP1MMP3
SCHEMBL1027023 0.84 AHCY (0.43) ACKR3AHCYGHSRMMP2ACLY
SCHEMBL1024510 0.83 MMP1 (0.34) ACKR3AHCYMMP9MMP1MMP2
SCHEMBL1197274 0.82 AHCY (0.35) ACKR3AHCY
SCHEMBL1027823 0.82 AHCY (0.45) ACKR3AHCYNAMPT
SCHEMBL1030102 0.82 AHCY (0.47) ACKR3AHCYNAMPT
SCHEMBL1027927 0.82 AHCY (0.39) ACKR3AHCY
Hydrochloric Acid SCHEMBL1197197 0.82 MMP1 (0.34) ACKR3AHCYMMP9MMP1MMP2
SCHEMBL1024974 0.82 AHCY (0.35) ACKR3AHCYMMP2

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 4 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

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 4108/4885BRD4 1310/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885AHCY 4/4885BRD4 2156/4885

“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.