SCHEMBL3256307

SCHEMBL3256307

C=CCNCCC1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
EP300 Q09472 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 1/20 0.30

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
SCHEMBL3259366 0.80 GNAI3 (0.44) KDM1AMAOAMAOBGNAI3GNAO1
SCHEMBL5963079 0.75 GNAO1 (0.52) KDM1AMAOAMAOBGNAI3GNAO1
SCHEMBL12844968 0.74 GNAO1 (0.46) KDM1AMAOAMAOBGNAI3GNAO1
SCHEMBL9877214 0.73 SLC6A1 (0.46) KDM1AMAOBGNAI3GNAO1GNAI1
SCHEMBL5261715 0.73 HRH3 (0.35) KDM1AMAOAMAOBGNAO1ITGB3
SCHEMBL20842988 0.72 SIGMAR1 (0.38) KDM1A
SCHEMBL4136214 0.72 GNAI3 (0.41) KDM1AMAOAMAOBGNAI3GNAO1
Hydrochloric Acid SCHEMBL31392340 0.71 GNAO1 (0.36) KDM1AMAOAMAOBGNAI3GNAO1
SCHEMBL8893075 0.69 HRH3 (0.31) HRH3
SCHEMBL16122656 0.69 TSHR (0.45) ITGB3ITGA2BTPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976842-B1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH SPA (IT) 2010-03-10 EP disclosed
US-20100016288-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A (IT) 2010-01-21 US disclosed
EP-1976842-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-10-08 EP disclosed
WO-2007082731-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-07-26 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 (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-20100016288-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA6, CHRNA5 KDM1A 2586/4885MAOA 308/4885MAOB 428/4885

“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.