SCHEMBL3327901

SCHEMBL3327901

O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN2CCC1CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.60
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 8/20 0.54
MAPK1 P28482 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CHRNA7 P36544 1/20 0.50
PDE5A O76074 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
RAD52 P43351 1/20 0.48
LMNA P02545 1/20 0.48

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 SCHEMBL3322746 0.99 PDE4B (0.59) PDE4BNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3326650 0.87 ALDH1A1 (0.61) PDE4BNPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL3327527 0.86 ALDH1A1 (0.60) PDE4BNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3612795 0.85 MEN1 (0.51) PDE4BNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL3619929 0.84 MEN1 (0.50) PDE4BNPC1RAB9AMEN1KMT2A
SCHEMBL3326108 0.83 CHRNA7 (0.51) PDE4BMAPTALDH1A1KDM4ECHRNA7
SCHEMBL373086 0.82 CHRNA7 (0.58) PDE4BNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5946814 0.80 NPC1 (0.59) PDE4BNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3326208 0.80 CHRNA7 (0.72) PDE4BSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3525790 0.79 CHRNA7 (0.71) PDE4BSMN1; SMN2MEN1KMT2AALDH1A1

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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US claimed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US claimed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP claimed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US claimed
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US disclosed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP disclosed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US disclosed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP disclosed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 WO 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 PDE4B 190/4885NPC1 2735/4885RAB9A 3330/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 PDE4B 190/4885NPC1 2735/4885RAB9A 3330/4885

“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.