SCHEMBL1023391

SCHEMBL1023391

CC(C)C(=O)Nc1ccc(C#Cc2ccc(N3CC4CCC(C3)N4C)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
PANK3 Q9H999 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RECQL P46063 2/20 0.37
PGR P06401 1/20 0.34
AKR1C3 P42330 1/20 0.34
KDM4E B2RXH2 4/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 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
Fumaric Acid SCHEMBL1021509 0.94 GRM5 (0.39) GRM5PANK3MAPTALDH1A1NPSR1
SCHEMBL1022170 0.90 KDM4E (0.47) GRM5PANK3MAPTALDH1A1KDM4E
SCHEMBL1020880 0.87 NPC1 (0.47) GRM5PANK3MAPTALDH1A1KDM4E
SCHEMBL3550352 0.85 MTOR (0.38) GRM5PANK3RAB9ANPC1ACACB
SCHEMBL1022423 0.85 KDR (0.46) GRM5MAPTKDM4ERAB9AMEN1
Fumaric Acid SCHEMBL1023087 0.82 NPC1 (0.43) GRM5PANK3MAPTALDH1A1KDM4E
SCHEMBL1023811 0.79 GRM5 (0.41) GRM5
SCHEMBL1021484 0.79 GRM5 (0.54) GRM5
Fumaric Acid SCHEMBL1023412 0.78 GRM5 (0.49) GRM5ALDH1A1KDM4E
SCHEMBL1450676 0.75 GRM5 (0.44) GRM5

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 8 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 claimed
US-7662812-B2 Diazabicyclic aryl derivatives and their use as chinolinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2010-02-16 US claimed
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 claimed
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 GRM5 219/4885PANK3 2530/4885MAPT 1018/4885

“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.