SCHEMBL3444166

SCHEMBL3444166

CCNC1CCCN(C)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 12/20 0.41
BPTF Q12830 1/20 0.41
KCNH2 Q12809 1/20 0.36
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
CDC42BPB Q9Y5S2 3/20 0.34
CDC42BPA Q5VT25 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IL1B P01584 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL18236731 0.94 KAT2B (0.41) KAT2BBPTFKCNH2
SCHEMBL14828700 0.87
SCHEMBL18912138 0.87
SCHEMBL4709409 0.87
SCHEMBL17918950 0.84 KAT2B (0.36) KAT2BBPTFIL1BNLRP3
SCHEMBL13883714 0.82 DPP4 (0.39) KAT2BBPTF
SCHEMBL25590730 0.78 GNAI3 (0.47)
SCHEMBL12464589 0.78 GAA (0.40) KCNH2IL1BNLRP3
SCHEMBL16111350 0.77 IL1B (0.36) KAT2BBPTFIL1BNLRP3
SCHEMBL12852103 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
US-20070066584-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-03-22 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 (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-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT KAT2B 1083/4885BPTF 4328/4885KCNH2 3760/4885
US-20070066584-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KAT2B 3408/4885BPTF 4391/4885KCNH2 2128/4885

“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.