SCHEMBL1018516

SCHEMBL1018516

CC(=O)Nc1cccc(C#Cc2ccc(OC3CN4CCC3CC4)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.42
CPT1A P50416 1/20 0.40
CHRNA7 P36544 3/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
OGA O60502 1/20 0.36
IKBKB O14920 1/20 0.36
LSS P48449 1/20 0.36
FGFR2 P21802 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 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
SCHEMBL1017423 0.89 RAB9A (0.44) ALDH1A1CHRNA7BCHEACHEOGA
SCHEMBL3088580 0.89 RAB9A (0.44) ALDH1A1CHRNA7BCHEACHEOGA
SCHEMBL3080514 0.89 RAB9A (0.44) ALDH1A1CHRNA7BCHEACHEOGA
SCHEMBL5624115 0.84 RAB9A (0.39) ALDH1A1CHRNA7BCHEACHEOGA
SCHEMBL1018366 0.83 GAA (0.42) ALDH1A1CHRNA7BCHEACHEOGA
SCHEMBL3065861 0.81 CHRNA7 (0.44) CHRNA7LSS
SCHEMBL3083214 0.81 CHRNA7 (0.44) CHRNA7LSS
SCHEMBL1020153 0.81 CHRNA7 (0.44) CHRNA7LSS
SCHEMBL1019582 0.81 GRM5 (0.44) GRM5CHRNA7
SCHEMBL1020069 0.81 CHRNA7 (0.44) GRM5MAPTCHRNA7LSS

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
EP-1802616-B1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2011-01-12 EP claimed
US-7652010-B2 Azabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-01-26 US claimed
US-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use ANIONA APS (DK) 2007-12-27 US claimed
EP-1802616-B1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2011-01-12 EP disclosed
US-7652010-B2 Azabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-01-26 US disclosed
US-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use ANIONA APS (DK) 2007-12-27 US 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-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use CHRNA6, CHRNA10, CHRNA5 GRM5 265/4885ALDH1A1 733/4885MAPT 1166/4885

“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.