SCHEMBL246223

SCHEMBL246223

O=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
NCOA1 Q15788 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
P2RX1 P51575 1/20 0.44
MAPK1 P28482 1/20 0.44
MDM2 Q00987 1/20 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
Hydrochloric Acid SCHEMBL244529 0.99 MEN1 (0.50) MEN1KMT2AGAAHTTNCOA1
SCHEMBL2534485 0.84 MEN1 (0.65) MEN1KMT2AGAAHTTNCOA1
SCHEMBL1473951 0.84 NPC1 (0.54) MEN1KMT2AGAAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL3248224 0.83 MEN1 (0.64) MEN1KMT2AGAAHTTNCOA1
Hydrochloric Acid SCHEMBL1471256 0.83 NPC1 (0.53) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL4089919 0.83 RAB9A (0.50) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL244941 0.83 PTPN11 (0.46) GAASMN1; SMN2ALDH1A1RAB9AP2RX1
Hydrochloric Acid SCHEMBL247568 0.82 PTPN11 (0.45) GAASMN1; SMN2ALDH1A1RAB9AP2RX1
SCHEMBL4095632 0.82 KMT2A (0.53) MEN1KMT2AGAASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4096059 0.82 RAB9A (0.49) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-02-24 US claimed
EP-2209783-B1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2016-03-16 EP disclosed
US-8343960-B2 1,4-diaza-bicyclo[3.2.2]nonyl pyrimidine derivatives and their medical use NEUROSEARCH A/S (DK) 2013-01-01 US disclosed
US-20120004215-A1 N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
US-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
US-20100298307-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-11-25 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 (3 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-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA6, CHRNA5, CHRNA2 MEN1 4586/4885KMT2A 3160/4885GAA 3081/4885
US-20100298307-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA6, CHRNA5, CHRNA2 MEN1 4586/4885KMT2A 3160/4885GAA 3081/4885
US-20120004215-A1 N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA5, CHRNA6, CHRNA10 MEN1 4249/4885KMT2A 3560/4885GAA 2974/4885

“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.