SCHEMBL1022178

SCHEMBL1022178

CC(C)(O)C#Cc1ccc2[nH]ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.53
IMPDH1 P20839 1/20 0.53
GFER P55789 1/20 0.50
PIKFYVE Q9Y2I7 6/20 0.45
TTBK1 Q5TCY1 3/20 0.45
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
RAD51 Q06609 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APP P05067 1/20 0.43
AHR P35869 3/20 0.41
NR4A2 P43354 2/20 0.41
CYP2A6 P11509 2/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL29222908 0.85 GFER (0.50) IMPDH2IMPDH1GFERPIKFYVETTBK1
SCHEMBL14949230 0.79 PIKFYVE (0.45) PIKFYVETTBK1MAPTMAP3K14PAK4
SCHEMBL28319149 0.78 IMPDH2 (0.46) IMPDH2IMPDH1GFERUSP2GAA
SCHEMBL27893006 0.73 IMPDH2 (0.56) IMPDH2IMPDH1GFERUSP2GAA
SCHEMBL28205154 0.73 IMPDH2 (0.56) IMPDH2IMPDH1GFERUSP2GAA
SCHEMBL30530216 0.73 ASIC3 (0.43) PIKFYVETTBK1CYP1A2PAK4
SCHEMBL21751179 0.73 ASIC3 (0.43) PIKFYVETTBK1CYP1A2PAK4
Methyl Alcohol SCHEMBL27844152 0.73 IMPDH2 (0.89) IMPDH2IMPDH1GFERUSP2GAA
SCHEMBL1080464 0.73 GFER (0.69) IMPDH2IMPDH1GFERUSP2GAA
SCHEMBL17697528 0.72 BRD4 (0.41)

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
EP-1863819-B1 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHINOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH AS (DK) 2011-01-12 EP disclosed
US-7662812-B2 Diazabicyclic aryl derivatives and their use as chinolinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2010-02-16 US disclosed
US-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances NEUROSEARCH A/S (DK) 2008-06-19 US disclosed
EP-1863819-A2 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHINOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2007-12-12 EP disclosed
WO-2006087306-A2 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2006-08-24 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-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances CHRNA6, CHRNA10, CHRNA2 IMPDH2 3490/4885IMPDH1 3294/4885GFER 1880/4885

“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.