SCHEMBL1572879

SCHEMBL1572879

O=C(c1ccc2cn[nH]c2c1)N1CCN2CCC1CC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.53
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
CHRNA7 P36544 1/20 0.42
MAOB P27338 3/20 0.42
CHRNA3 P32297 1/20 0.42
ROCK2 O75116 1/20 0.40
ACACB O00763 3/20 0.40
ACACA Q13085 3/20 0.40
MAP4K4 O95819 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
CDK4 P11802 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
SCHEMBL1572985 0.90 CCNC (0.57) HSD11B1CCNCCDK8CHRNA7MAOB
SCHEMBL4028207 0.77 CHRNA3 (0.64) CHRNA7CHRNA3
SCHEMBL4030623 0.75 HSD11B1 (0.52) HSD11B1CHRNA7
SCHEMBL28015749 0.75 HPGD (0.57) HSD11B1MAOBROCK2ACACBACACA
SCHEMBL1572573 0.73 CNR2 (0.53) CHRNA7
SCHEMBL28474014 0.73 ACACB (0.50) HSD11B1MAOBACACBACACAMAP4K4
SCHEMBL4026558 0.72 CHRNA3 (0.61) HSD11B1CHRNA7CHRNA3
SCHEMBL17447149 0.72 PIK3CA (0.53) MAOBROCK2ACACBACACA
SCHEMBL4032535 0.71 HSD11B1 (0.53) HSD11B1CHRNA7
SCHEMBL4031149 0.71 CHRNA7 (0.54) HSD11B1CHRNA7CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745046-B1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2011-04-13 EP claimed
US-7632831-B2 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-15 US claimed
EP-1745046-A2 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-24 EP claimed
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-12-08 US claimed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 WO claimed
EP-1745046-B1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2011-04-13 EP disclosed
US-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF XIE WENGE 2009-12-31 US disclosed
US-7632831-B2 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-15 US disclosed
EP-1745046-A2 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-24 EP disclosed
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-12-08 US disclosed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 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 (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-20090325939-A1 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF CHRNA7, CHRNA1, CHRNA5 HSD11B1 2379/4885CCNC 3969/4885CDK8 1105/4885
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof CHRNA7, CHRNA1, CHRNA5 HSD11B1 2379/4885CCNC 3969/4885CDK8 1105/4885

“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.