SCHEMBL2091970

SCHEMBL2091970

Cc1cc(OCC2CC2)ccc1-c1cc(N)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.39
PARP10 Q53GL7 4/20 0.39
KDM1A O60341 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
PRKCZ Q05513 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PDK2 Q15119 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
APP P05067 2/20 0.36

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
SCHEMBL2088475 0.82 PDK2 (0.41) PARP15PARP10SLC6A2SLC6A4HTR3A
SCHEMBL1854515 0.80 XDH (0.45) PARP15PARP10PRKCZPARP2TDP1
SCHEMBL2090719 0.75 FEN1 (0.41) BRD4
SCHEMBL14910883 0.74 ALPL (0.39) KCNH2PPARGADORA2A
SCHEMBL4856665 0.72 ALPL (0.58)
SCHEMBL8221790 0.71 PARP15 (0.50) PARP15PARP10BRD4CREBBPSLC6A2
SCHEMBL12432327 0.70 PARP10 (0.46) PARP15PARP10SLC6A2SLC6A4HTR3A
SCHEMBL14910385 0.69 TLR8 (0.42)
SCHEMBL14726304 0.69 NOTUM (0.48)
SCHEMBL5305952 0.69 NPC1 (0.41) APPBACE1

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
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 US disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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 (3 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 PARP15 3247/4885PARP10 3113/4885KDM1A 2280/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 PARP15 2657/4885PARP10 2319/4885KDM1A 2097/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 PARP15 1577/4885PARP10 1990/4885KDM1A 1896/4885

“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.