SCHEMBL3550352

SCHEMBL3550352

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.38
RPTOR Q8N122 4/20 0.38
MLST8 Q9BVC4 4/20 0.38
GRM5 P41594 1/20 0.36
PANK3 Q9H999 1/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CG P48736 1/20 0.36
PIK3CD O00329 2/20 0.36
ACACB O00763 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35

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
SCHEMBL1020880 0.88 NPC1 (0.47) GRM5PANK3NPC1RAB9A
SCHEMBL1022170 0.87 KDM4E (0.47) GRM5PANK3ACACBNPC1RAB9A
SCHEMBL1023391 0.85 GRM5 (0.40) GRM5PANK3ACACBPDGFRBKDR
Fumaric Acid SCHEMBL1023087 0.83 NPC1 (0.43) GRM5PANK3NPC1RAB9A
SCHEMBL1022423 0.83 KDR (0.46) GRM5PDGFRBKDRNPC1RAB9A
Fumaric Acid SCHEMBL1021509 0.80 GRM5 (0.39) GRM5PANK3NPC1RAB9A
SCHEMBL1023811 0.77 GRM5 (0.41) GRM5
SCHEMBL1021484 0.77 GRM5 (0.54) GRM5
Fumaric Acid SCHEMBL1023412 0.76 GRM5 (0.49) GRM5
SCHEMBL1450676 0.73 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MTOR 1995/4885RPTOR 3240/4885MLST8 4833/4885

“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.