SCHEMBL3249731

SCHEMBL3249731

COc1cccc(C(=O)Nc2ccc(N3CCN4CCC3CC4)nc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
KCNQ3 O43525 1/20 0.57
KCNQ2 O43526 1/20 0.57
MEN1 O00255 2/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
TP53 P04637 3/20 0.56
PKM P14618 3/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPT P10636 2/20 0.52
QSOX1 O00391 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 2/20 0.50
DGAT1 O75907 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
SOAT1 P35610 1/20 0.50
TSHR P16473 1/20 0.49

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
Hydrochloric Acid SCHEMBL3240697 0.99 KMT2A (0.58) KMT2AKCNQ3KCNQ2MEN1NPC1
SCHEMBL4083734 0.88 KMT2A (0.56) KMT2AKCNQ3KCNQ2MEN1NPC1
Hydrochloric Acid SCHEMBL4085659 0.87 KMT2A (0.55) KMT2AKCNQ3KCNQ2MEN1NPC1
SCHEMBL3244037 0.85 KDM4E (0.45) KMT2AKCNQ3KCNQ2NPC1RAB9A
SCHEMBL4085694 0.85 KCNQ3 (0.57) KMT2AKCNQ3KCNQ2MEN1NPC1
SCHEMBL3252070 0.85 ULK1 (0.47) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL3248601 0.85 NPC1 (0.64) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL3248045 0.85 RORC (0.53) DGAT1CYP3A4SOAT1
SCHEMBL3246091 0.85 KCNH2 (0.51) KMT2AKCNQ3KCNQ2NPC1RAB9A
Hydrochloric Acid SCHEMBL3252697 0.84 ULK1 (0.46) KCNQ3KCNQ2NPC1RAB9AMAPT

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 9 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
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 KMT2A 1679/4885KCNQ3 719/4885KCNQ2 673/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 KMT2A 1691/4885KCNQ3 724/4885KCNQ2 670/4885

“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.