SCHEMBL4984

SCHEMBL4984

COC(=O)C1CNCC[N]1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 1/20 0.40
TP53 P04637 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
SCHEMBL1233193 0.80 MAPT (0.40)
SCHEMBL4721672 0.80 TSHR (0.30) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL854160 0.80 MAPK1 (0.31)
SCHEMBL715395 0.78
SCHEMBL752438 0.77 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6040299 0.77
SCHEMBL4585453 0.76 TSHR (0.33)
SCHEMBL2915925 0.75
SCHEMBL1938997 0.75 ALDH1A1 (0.38)
SCHEMBL7787553 0.74 KMT2A (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP claimed
JP-2011529037-A 2011-12-01 JP claimed
EP-2310357-A1 POTASSIUM ION CHANNEL MODULATORS&USES THEREOF Ramot at Tel Aviv University Limited (IL) 2011-04-20 EP claimed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO claimed
WO-2010010380-A1 POTASSIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-01-28 WO claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US claimed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP claimed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP claimed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
EP-0438230-B1 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME (GB) 1997-04-23 EP claimed
US-4680301-A 6-isothiocyanato-2,5-substituted benzothiazoles or benzoxazoles useful as anthelmintic effective agents CIBA-GEIGY CORPORATION (US) 1987-07-14 US claimed
EP-2814822-B1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed
WO-2013120921-A9 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO disclosed
US-5208248-A Hydroxytryptamine Receptor Agonists MERCK SHARPE & DOHME, LTD. (GB) 1993-05-04 US disclosed
EP-0501656-A2 New benzene derivatives having (NGF) production-promoting activity Sankyo Company Limited (JP) 1992-09-02 EP disclosed
EP-0494774-A1 Indazole-substituted fivemembered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1992-07-15 EP disclosed
EP-0438230-A2 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1991-07-24 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-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 CHRNB2 4404/4885CHRNA4 4704/4885CHRNB4 4450/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA CHRNB2 2161/4885CHRNA4 2476/4885CHRNB4 2792/4885

“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.