SCHEMBL2765877

SCHEMBL2765877

C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(C#N)c4)cn3)cc2)CCN1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLNR O43193 15/20 0.76
PRKAA2 P54646 1/20 0.44
MGLL Q99685 1/20 0.43
TNIK Q9UKE5 1/20 0.40
MCHR1 Q99705 1/20 0.40
CHRM4 P08173 1/20 0.39

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
SCHEMBL5101569 1.00 MLNR (0.76) MLNRPRKAA2MGLLTNIKMCHR1
SCHEMBL3561768 0.90 MLNR (0.70) MLNRPRKAA2MGLLMCHR1CHRM4
SCHEMBL5114320 0.89 MLNR (0.74) MLNRMGLL
SCHEMBL2766641 0.89 MLNR (0.74) MLNRMGLL
SCHEMBL2786717 0.88 MLNR (0.77) MLNRMGLL
SCHEMBL2766444 0.87 MLNR (0.75) MLNRMGLL
SCHEMBL5114477 0.87 MLNR (0.75) MLNRMGLL
SCHEMBL2765776 0.87 MLNR (1.00) MLNR
SCHEMBL2765775 0.85 MLNR (0.77) MLNR
SCHEMBL2767809 0.84 MLNR (0.56) MLNRMGLL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
EP-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 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 (1 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-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 MLNR 251/4885PRKAA2 3648/4885MGLL 1402/4885

“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.