SCHEMBL1026569

SCHEMBL1026569

Cc1nc(-c2ccc(C)c(NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N3Cc4ccc(C#N)cc4C3)c2)no1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.34
KIT P10721 5/20 0.34
GPR119 Q8TDV5 1/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
EP300 Q09472 1/20 0.31
DRD2 P14416 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL1025418 0.91 ACKR3 (0.41) ACKR3KITGPR119LMNAMAPT
SCHEMBL1028852 0.91 MAPT (0.38) ACKR3KITLMNAMAPT
SCHEMBL1026128 0.91 ACKR3 (0.37) ACKR3KITGPR119LMNAMAPT
SCHEMBL1027444 0.87 ACKR3 (0.35) ACKR3KITGPR119LMNAMAPT
SCHEMBL11895744 0.87 ACKR3 (0.40) ACKR3KITGPR119LMNAMAPT
Hydrochloric Acid SCHEMBL1025409 0.86 KIT (0.35) KITLMNAMAPTEP300S1PR1
SCHEMBL1026029 0.86 ACKR3 (0.43) ACKR3KITGPR119LMNAMAPT
SCHEMBL1028768 0.85 ACKR3 (0.41) ACKR3KITGPR119LMNA
SCHEMBL1029864 0.85 POLB (0.37) KITGPR119LMNAMAPT
SCHEMBL1027466 0.84 MAPT (0.38) GPR119LMNAMAPT

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 1777/4885KIT 2459/4885GPR119 644/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885KIT 4263/4885GPR119 2613/4885

“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.