SCHEMBL1572985

SCHEMBL1572985

O=C(c1ccc2[nH]ncc2c1)N1CCN2CCC1CC2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.57
CDK8 P49336 1/20 0.57
HSD11B1 P28845 3/20 0.53
CTNNB1 P35222 4/20 0.46
WNT3A P56704 4/20 0.46
GRIN2B Q13224 3/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
DDR1 Q08345 1/20 0.43
HPGD P15428 1/20 0.43
CHRNA7 P36544 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL1572879 0.90 HSD11B1 (0.53) CCNCCDK8HSD11B1ROCK2CHRNA7
SCHEMBL4030623 0.80 HSD11B1 (0.52) HSD11B1CHRNA7
SCHEMBL28861342 0.78 CCNC (0.57) CCNCCDK8HSD11B1CTNNB1WNT3A
SCHEMBL4028207 0.77 CHRNA3 (0.64) HPGDCHRNA7NPC1RAB9A
SCHEMBL4032535 0.76 HSD11B1 (0.53) HSD11B1CHRNA7
SCHEMBL31581057 0.75 CCNC (0.54) CCNCCDK8HSD11B1CTNNB1WNT3A
SCHEMBL31581176 0.75 HPGD (0.66) CCNCCDK8HSD11B1CTNNB1WNT3A
SCHEMBL15163680 0.74 ACACB (0.57) CCNCCDK8DDR1HPGDACACB
SCHEMBL31581123 0.74 ROCK2 (0.57) CCNCCDK8HSD11B1CTNNB1WNT3A
SCHEMBL15243010 0.74 HPGD (0.68) CCNCCDK8HSD11B1CTNNB1WNT3A

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 CCNC 3969/4885CDK8 1105/4885HSD11B1 2379/4885
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof CHRNA7, CHRNA1, CHRNA5 CCNC 3969/4885CDK8 1105/4885HSD11B1 2379/4885

“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.