SCHEMBL2125609

SCHEMBL2125609

CCOC(=O)CCCn1ccc2c(C#N)ccnc21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNF P01375 17/20 0.49
ELANE P08246 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2123687 0.93 TNF (0.42) TNFELANEMAPT
SCHEMBL15204090 0.87 MAPT (0.41) TNFELANEMAPT
SCHEMBL2123430 0.83 TNF (0.50) TNF
SCHEMBL2616393 0.80 TNF (0.47) TNF
SCHEMBL402848 0.80 MAPT (0.56) TNFMAPT
SCHEMBL2133190 0.78 TNF (0.48) TNF
SCHEMBL2616394 0.78 TNF (0.46) TNF
SCHEMBL2616389 0.78 TNF (0.46) TNF
SCHEMBL2122624 0.76 TNF (0.44) TNF
SCHEMBL2123060 0.75 MGAM (0.46) TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443115-B1 Pyrrolo-pyridine derivatives useful to treat diseases connected to S1P1 receptors GLAXO GROUP LTD (GB) 2013-08-28 EP disclosed
EP-2443115-B1 Pyrrolo-pyridine derivatives useful to treat diseases connected to S1P1 receptors GLAXO GROUP LTD (GB) 2013-08-28 EP disclosed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443115-A1 COMPOUNDS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 WO 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-20120101123-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 TNF 1930/4885ELANE 665/4885MAPT 719/4885

“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.