SCHEMBL5014449

SCHEMBL5014449

O=C(c1ccnc(Br)c1)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.58
TSHR P16473 2/20 0.54
ALDH1A1 P00352 4/20 0.53
RECQL P46063 1/20 0.50
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL3295635 0.85 PKM (0.55) HPGDTSHRALDH1A1KDM4EPOLB
SCHEMBL29632673 0.80 HPGD (0.56) HPGDTSHRALDH1A1GRIA3GRIA4
SCHEMBL34463093 0.79 HPGD (0.58) HPGDTSHRALDH1A1RECQLGRIA3
SCHEMBL14872336 0.79 PROKR1 (0.63) HPGDTSHRALDH1A1GRIA3GRIA4
SCHEMBL14858253 0.79 HPGD (0.62) HPGDALDH1A1GRIA3GRIA4KDM4E
SCHEMBL939096 0.79 PROKR1 (0.63) HPGDALDH1A1GRIA3GRIA4KDM4E
SCHEMBL3294559 0.78 MEN1 (0.54) POLB
SCHEMBL30667713 0.78 PROKR1 (0.61) HPGDTSHRALDH1A1RECQLGRIA3
SCHEMBL1859158 0.78 PROKR1 (0.61) HPGDTSHRALDH1A1RECQLGRIA3
SCHEMBL5338061 0.78 HPGD (0.65) HPGDTSHRALDH1A1RECQLGRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1831231-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065209-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 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-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNA2, CHRNB1 HPGD 1807/4885TSHR 205/4885ALDH1A1 577/4885

“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.