SCHEMBL244941

SCHEMBL244941

Nc1ccccc1C(=O)Nc1cnc(N2CCN3CCC2CC3)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 13/20 0.46
FADS1 O60427 2/20 0.42
PTGS1 P23219 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
P2RX1 P51575 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRKCI P41743 1/20 0.40

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 SCHEMBL247568 0.99 PTPN11 (0.45) PTPN11FADS1PTGS1NPC1RAB9A
SCHEMBL1473951 0.87 NPC1 (0.54) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL3241440 0.87 L3MBTL1 (0.47) PTPN11FADS1PTGS1NPC1RAB9A
Hydrochloric Acid SCHEMBL1471256 0.86 NPC1 (0.53) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL4089919 0.86 RAB9A (0.50) NPC1RAB9AALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4096059 0.85 RAB9A (0.49) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL4095632 0.85 KMT2A (0.53) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL2063619 0.85 ALKBH1 (0.50) PTPN11NPC1RAB9A
Hydrochloric Acid SCHEMBL4089952 0.84 KMT2A (0.52) NPC1RAB9AALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL2063475 0.84 ALKBH1 (0.49) PTPN11NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2389380-A1 N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2011-11-30 EP disclosed
US-8041176-B2 Cable exit trough with cover ADC TELECOMMUNICATIONS, INC. (US) 2011-10-18 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
WO-2010084184-A1 N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-07-29 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-20100298307-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA6, CHRNA5, CHRNA2 PTPN11 1698/4885FADS1 2761/4885PTGS1 744/4885
US-20120004215-A1 N-OXIDES OF DIAZABICYCLONONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA5, CHRNA6, CHRNA10 PTPN11 1687/4885FADS1 3098/4885PTGS1 469/4885

“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.