SCHEMBL3248601

SCHEMBL3248601

COc1cccc(C(=O)Nc2ccc(N3CCN4CCC3CC4)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
RAB9A P51151 7/20 0.64
ALDH1A1 P00352 6/20 0.64
MAPT P10636 5/20 0.64
LMNA P02545 3/20 0.64
PKM P14618 2/20 0.64
QSOX1 O00391 1/20 0.64
GAA P10253 1/20 0.58
TP53 P04637 3/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
AR P10275 1/20 0.53

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 SCHEMBL3248272 0.99 NPC1 (0.63) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3252139 0.87 RAB9A (0.61) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL3243529 0.86 RAB9A (0.60) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3249731 0.85 KMT2A (0.59) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL4083734 0.85 KMT2A (0.56) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL3240697 0.84 KMT2A (0.58) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3247457 0.84 SMYD3 (0.47) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL4085659 0.84 KMT2A (0.55) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3248722 0.84 PTGS1 (0.50) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3248661 0.84 NPC1 (0.62) NPC1SMN1; SMN2RAB9AALDH1A1MAPT

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-1713487-B1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2009-12-02 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 NPC1 1787/4885SMN1; SMN2 421/4885RAB9A 2916/4885
US-20080227773-A1 Diazabicyclic Aryl Derivatives as Cholinergic Receptor Modulators CHRNA6, CHRNA10, CHRNA2 NPC1 1780/4885SMN1; SMN2 438/4885RAB9A 2958/4885

“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.