SCHEMBL5983595

SCHEMBL5983595

[c]1cn(CCN2CCOCC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KDM1A O60341 4/20 0.36
GLA P06280 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
POLB P06746 1/20 0.35
CXCR4 P61073 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL5981832 0.91 KEAP1 (0.43) ALDH1A1KEAP1SMN1; SMN2KDM4EKDM1A
SCHEMBL5982290 0.91 SMN1; SMN2 (0.43) ALDH1A1KEAP1SMN1; SMN2KDM4EKDM1A
SCHEMBL5981906 0.85 HRH3 (0.33) CYP3A4
SCHEMBL5982294 0.83 HRH3 (0.37) ALDH1A1SIGMAR1POLBCYP3A4CYP2D6
SCHEMBL5983835 0.83 HRH3 (0.37) ALDH1A1SIGMAR1POLBCYP3A4CYP2D6
SCHEMBL5982034 0.81 KDM1A (0.36) ALDH1A1KDM4EKDM1APOLB
SCHEMBL5983095 0.76 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KDM4EGLAPOLB
SCHEMBL5982878 0.74 HRH3 (0.40) SMN1; SMN2SIGMAR1CXCR4
SCHEMBL5982794 0.74 HRH3 (0.45) SIGMAR1
SCHEMBL5983036 0.74 LMNA (0.47) ALDH1A1SMN1; SMN2KDM4EGLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682021-A1 Benzimidazoles, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1995-11-15 EP claimed
WO-2018102885-A1 MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 WO disclosed
EP-1634888-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2006-03-15 EP disclosed
EP-1600452-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
EP-1600451-A2 Synthesis of 2'-deoxy-l-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
US-20050090660-A1 2'-deoxy-L-nucleosides PHARMASSET, INC. 2005-04-28 US disclosed
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5565469-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1996-10-15 US disclosed
EP-0552765-B1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation THOMAE GMBH DR K (DE) 1996-08-14 EP disclosed
EP-0682021-A1 Benzimidazoles, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1995-11-15 EP disclosed
EP-0552765-A1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-07-28 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 (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-20050090660-A1 2'-deoxy-L-nucleosides CCNH, ADAR, NSUN2 ALDH1A1 4093/4885KEAP1 3583/4885SMN1; SMN2 2345/4885

“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.