SCHEMBL4625413

SCHEMBL4625413

CCCCCNCCn1cccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
S1PR2 O95136 5/20 0.37
S1PR4 O95977 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
HTT P42858 5/20 0.37
LMNA P02545 3/20 0.37
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PABPC1 P11940 1/20 0.37
S1PR5 Q9H228 1/20 0.37
GALR3 O60755 2/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL11483488 0.94 TSHR (0.44) ALDH1A1TSHRSIGMAR1NPC1RAB9A
SCHEMBL28917637 0.82 TP53 (0.42) ALDH1A1TSHR
SCHEMBL250676 0.77 NPC1 (0.56) ALDH1A1TSHRNPC1RAB9AHTT
SCHEMBL5604022 0.75 NPC1 (0.57) ALDH1A1TSHRNPC1RAB9AHTT
SCHEMBL1792913 0.75 NPC1 (0.57) ALDH1A1TSHRNPC1RAB9AHTT
SCHEMBL5599875 0.75 NPC1 (0.57) ALDH1A1TSHRNPC1RAB9AHTT
SCHEMBL5601524 0.75 NPC1 (0.57) ALDH1A1TSHRNPC1RAB9AHTT
Fluoride SCHEMBL18438900 0.75 NPC1 (0.54) ALDH1A1NPC1RAB9AHTTLMNA
SCHEMBL5602339 0.75 NPC1 (0.57) ALDH1A1TSHRNPC1RAB9AHTT
SCHEMBL5602162 0.75 NPC1 (0.57) ALDH1A1TSHRNPC1RAB9AHTT

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-8518976-B2 e.g. 1-(3-(6-(2-fluorophenyl)pyridin-3-yl)propyl)-1H-pyridin-2-one; endothelial nitric oxide NO synthase inhibitor; antiinflammatory, hypotensive agent; atherosclerosis, thrombosis, coronary artery disease, and cardiac insufficiency SANOFI (FR) 2013-08-27 US disclosed
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP disclosed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US disclosed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 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-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 ALDH1A1 3585/4885TSHR 1149/4885SIGMAR1 1274/4885

“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.