SCHEMBL4944745

SCHEMBL4944745

CCCCCC1CNCCN1CCCCN

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR5 Q9H228 3/20 0.37
GNAO1 P09471 4/20 0.35
S1PR4 O95977 1/20 0.35
DNM1 Q05193 6/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 1/20 0.34
GNAI3 P08754 3/20 0.34
GNAI1 P63096 3/20 0.34
RAD52 P43351 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL250854 0.92 TAAR1 (0.53) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL4446755 0.92 TAAR1 (0.53) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL5595682 0.92 TAAR1 (0.41) TAAR1RAD52
SCHEMBL6700161 0.91 TAAR1 (0.47) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL6439309 0.91 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL6566400 0.91 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL11806053 0.91 TAAR1 (0.40) TAAR1RAD52
SCHEMBL27832364 0.91 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL28011845 0.91 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1
SCHEMBL7022097 0.91 TAAR1 (0.52) TAAR1S1PR1S1PR3S1PR5GNAO1

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 TAAR1 106/4885S1PR1 1341/4885S1PR3 1504/4885

“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.