SCHEMBL4906850

SCHEMBL4906850

O=C(NCCCCO)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.55
HTR2C P28335 4/20 0.55
DRD3 P35462 4/20 0.55
HTR1A P08908 2/20 0.55
DRD2 P14416 2/20 0.55
HTR2A P28223 2/20 0.55
POLB P06746 1/20 0.52
TRPV1 Q8NER1 2/20 0.50
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 1/20 0.49

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
SCHEMBL6713310 0.90 HPGDS (0.62) HPGDSKMT2AMEN1HTR2CDRD3
SCHEMBL13577909 0.88 NAAA (0.65) HPGDSKMT2AMEN1HTR2CDRD3
SCHEMBL14082177 0.86 HPGDS (0.59) HPGDSKMT2AMEN1HTR2CDRD3
SCHEMBL4910794 0.84 HPGDS (0.57) HPGDSKMT2AMEN1HTR2CDRD3
SCHEMBL6718174 0.84 NPC1 (0.57) HPGDSKMT2AMEN1HTR2CDRD3
SCHEMBL14082178 0.83 HPGDS (0.61) HPGDSKMT2AMEN1HTR2CDRD3
SCHEMBL14006248 0.82 CHRNA7 (0.72) HPGDSHTR2CDRD3HTR1ADRD2
SCHEMBL6714939 0.81 NPC1 (0.57) HPGDSKMT2AMEN1HTR2CDRD3
SCHEMBL2975968 0.81 DRD2 (0.68) DRD3DRD2POLBDRD4
SCHEMBL4911901 0.81 CHRNA7 (0.74) HPGDSHTR2CDRD3HTR1ADRD2

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 HPGDS 3191/4885KMT2A 2403/4885MEN1 4310/4885

“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.