SCHEMBL3259366

SCHEMBL3259366

C=CCNCC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
EPHX1 P07099 2/20 0.36
EPHX2 P34913 1/20 0.36
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35

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
SCHEMBL9877214 0.88 SLC6A1 (0.46) GNAI3GNAO1GNAI1ALOX15TSHR
SCHEMBL17291834 0.84 KMT2A (0.41) TSHRKMT2A
SCHEMBL2712275 0.84
SCHEMBL10475292 0.80 ADH1B (0.46) EPHX1EPHX2KMT2A
SCHEMBL3256307 0.80 KDM1A (0.36) GNAI3GNAO1GNAI1ALOX15TSHR
SCHEMBL21987001 0.79 GNAI3 (0.55) GNAI3GNAO1GNAI1ALOX15TSHR
SCHEMBL5545183 0.78 ADH1B (0.50) EPHX1EPHX2KMT2A
SCHEMBL5645562 0.77 GNAI3 (0.53) GNAI3GNAO1GNAI1ALOX15TSHR
SCHEMBL21744423 0.75 MAPT (0.38) EPHX2KMT2A
SCHEMBL10399362 0.75 KMT2A (0.35) KMT2A

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 GNAI3 893/4885GNAO1 250/4885GNAI1 772/4885

“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.