SCHEMBL2133190

SCHEMBL2133190

CCOC(=O)CCCn1ccc2c(C(=N)NO)ccnc21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNF P01375 17/20 0.48
CNR1 P21554 2/20 0.41
CNR2 P34972 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
SCHEMBL2125588 0.94 FPR2 (0.41) TNFCNR2
SCHEMBL2123430 0.85 TNF (0.50) TNF
SCHEMBL2123530 0.84 HDAC3 (0.38) CNR1CNR2
SCHEMBL2616394 0.82 TNF (0.46) TNFCNR1
SCHEMBL2616389 0.82 TNF (0.46) TNFCNR1
SCHEMBL402819 0.82 CNR1 (0.59) TNFCNR1CNR2
SCHEMBL2125738 0.79 ESR1 (0.40)
SCHEMBL2123060 0.78 MGAM (0.46) TNF
SCHEMBL2125609 0.78 TNF (0.49) TNF
SCHEMBL2616393 0.78 TNF (0.47) 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 2 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
US-20120101123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-26 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-20120101123-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 TNF 1930/4885CNR1 26/4885CNR2 21/4885

“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.