SCHEMBL3244037

SCHEMBL3244037

CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCN4CCC3CC4)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
ROCK2 O75116 1/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CLK1 P49759 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
DGAT1 O75907 2/20 0.43
CYP3A4 P08684 1/20 0.43
SOAT1 P35610 1/20 0.43
HTR1F P30939 1/20 0.42
PRKAA2 P54646 1/20 0.42
BRAF P15056 2/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 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
SCHEMBL3252125 0.89 RAB9A (0.48) KDM4EMAPTPOLBALDH1A1KCNQ3
SCHEMBL3252070 0.86 ULK1 (0.47) KDM4EMAPTKCNQ3KCNQ2NPC1
SCHEMBL4085694 0.86 KCNQ3 (0.57) MAPTKCNQ3KCNQ2NPC1RAB9A
SCHEMBL3249731 0.85 KMT2A (0.59) KDM4EMAPTALDH1A1KCNQ3KCNQ2
SCHEMBL3246091 0.85 KCNH2 (0.51) KDM4EMAPTKCNQ3KCNQ2NPC1
Hydrochloric Acid SCHEMBL3252697 0.85 ULK1 (0.46) KDM4EMAPTKCNQ3KCNQ2NPC1
SCHEMBL3247457 0.85 SMYD3 (0.47) MAPTROCK2POLBALDH1A1NPC1
Hydrochloric Acid SCHEMBL3240697 0.85 KMT2A (0.58) KDM4EMAPTALDH1A1KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL3252683 0.84 KCNH2 (0.50) KDM4EMAPTKCNQ3KCNQ2NPC1
SCHEMBL3248045 0.83 RORC (0.53) DGAT1CYP3A4SOAT1BRAF

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236793-B2 Diazabicyclic aryl derivatives as cholinergic receptor modulators NEUROSEARCH A/S (DK) 2012-08-07 US claimed
US-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS ANIONA APS (DK) 2010-05-06 US claimed
EP-2172469-A1 Diazabicyclic aryl derivatives as cholinergic receptor modulators NeuroSearch A/S (DK) 2010-04-07 EP claimed
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators ANIONA APS (DK) 2008-09-18 US claimed
US-8236793-B2 Diazabicyclic aryl derivatives as cholinergic receptor modulators NEUROSEARCH A/S (DK) 2012-08-07 US disclosed
US-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS ANIONA APS (DK) 2010-05-06 US disclosed
EP-2172469-A1 Diazabicyclic aryl derivatives as cholinergic receptor modulators NeuroSearch A/S (DK) 2010-04-07 EP disclosed
US-7662808-B2 N-[4-(1,4-Diaza-bicyclo[3.2.2]non-4-yl)-phenyl]-benzamide; 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 NEUROSEARCH A/S (DK) 2010-02-16 US disclosed
EP-1713487-B1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2009-12-02 EP disclosed
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators ANIONA APS (DK) 2008-09-18 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 (2 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-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS CHRNA6, CHRNA10, CHRNA2 KDM4E 2086/4885MAPT 1442/4885ROCK2 3088/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 KDM4E 2084/4885MAPT 1501/4885ROCK2 3057/4885

“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.