SCHEMBL4944738

SCHEMBL4944738

CCCCCN1CCN(CCCCN)CC1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.63
GNAO1 P09471 2/20 0.63
GNAI1 P63096 2/20 0.63
DNM1 Q05193 8/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
EPHX1 P07099 1/20 0.55

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
SCHEMBL6277287 0.95 GNAI3 (0.63) GNAI3GNAO1GNAI1DNM1MEN1
SCHEMBL4389217 0.95 GNAI3 (0.57) GNAI3GNAO1GNAI1DNM1MEN1
SCHEMBL6700154 0.91 GNAI3 (0.63) GNAI3GNAO1GNAI1
SCHEMBL4392316 0.91 GNAI3 (0.52) GNAI3GNAO1GNAI1DNM1
SCHEMBL9292459 0.88 GNAI3 (0.67) GNAI3GNAO1GNAI1DNM1
SCHEMBL4395108 0.88 KEAP1 (0.54) GNAI3GNAO1GNAI1DNM1MEN1
SCHEMBL1043043 0.87 GNAI3 (0.70) GNAI3GNAO1GNAI1
SCHEMBL4666999 0.87
SCHEMBL250855 0.87 GNAI3 (0.70) GNAI3GNAO1GNAI1
SCHEMBL35895 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof SIENA BIOTECH S.P.A. (IT) 2008-11-06 US disclosed
EP-1778658-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2007-05-02 EP disclosed
WO-2006008133-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2006-01-26 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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof CHRNA7, CHRNA5, CHRNA1 GNAI3 627/4885GNAO1 225/4885GNAI1 494/4885

“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.