SCHEMBL3242803

SCHEMBL3242803

O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
NPY2R P49146 1/20 0.45
MAPK1 P28482 1/20 0.45
SGPL1 O95470 1/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
CRBN Q96SW2 3/20 0.43

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
SCHEMBL244511 0.81 MAPT (0.40) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3250573 0.81 CYP11B1 (0.47) MAPTLMNACYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL3248768 0.80 CYP11B1 (0.47) MAPTLMNACYP1A2MEN1KMT2A
SCHEMBL2537629 0.78 POLB (0.49) MAPTALDH1A1MEN1KMT2APOLB
Fluoride SCHEMBL2534999 0.77 POLB (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3245014 0.76 KMT2A (0.54) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL26633342 0.75 MAPT (0.63) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL26633283 0.75 MAPT (0.63) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL26633289 0.75 MAPT (0.63) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL10898231 0.75 MAPT (0.58) MAPTALDH1A1LMNAALOX12NPSR1

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 4 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 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
EP-1713487-B1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2009-12-02 EP 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-20100113428-A1 DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGIC RECEPTOR MODULATORS CHRNA6, CHRNA10, CHRNA2 MAPT 1442/4885ALDH1A1 917/4885LMNA 2673/4885

“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.