SCHEMBL4083734

SCHEMBL4083734

COc1cccc(C(=O)Nc2cnc(N3CCN4CCC3CC4)nc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
PKM P14618 3/20 0.52
TP53 P04637 3/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
TSHR P16473 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
QSOX1 O00391 1/20 0.50

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 SCHEMBL4085659 0.99 KMT2A (0.55) KMT2AKCNQ3KCNQ2MEN1NPC1
SCHEMBL3249731 0.88 KMT2A (0.59) KMT2AKCNQ3KCNQ2MEN1NPC1
SCHEMBL4079918 0.88 KMT2A (0.50) KMT2AMEN1NPC1RAB9APKM
Hydrochloric Acid SCHEMBL3240697 0.87 KMT2A (0.58) KMT2AKCNQ3KCNQ2MEN1NPC1
Hydrochloric Acid SCHEMBL4086354 0.87 KMT2A (0.49) KMT2AMEN1NPC1RAB9APKM
SCHEMBL3248601 0.85 NPC1 (0.64) KMT2AMEN1NPC1RAB9APKM
SCHEMBL4090589 0.85 KCNQ3 (0.56) KMT2AKCNQ3KCNQ2MEN1NPC1
SCHEMBL4095142 0.85 RAB9A (0.44) KMT2AKCNQ3KCNQ2MEN1NPC1
SCHEMBL2063619 0.84 ALKBH1 (0.50) KMT2AKCNQ3KCNQ2NPC1RAB9A
Hydrochloric Acid SCHEMBL3248272 0.84 NPC1 (0.63) KMT2AMEN1NPC1RAB9APKM

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-20090197872-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-08-06 US claimed
EP-2041134-A1 NOVEL 1,4-DIAZA-BICYCLOÝ3.2.2¨NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-04-01 EP claimed
WO-2007138039-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 WO claimed
US-20090197872-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-08-06 US disclosed
EP-2041134-A1 NOVEL 1,4-DIAZA-BICYCLOÝ3.2.2¨NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-04-01 EP disclosed
WO-2007138039-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 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 (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-20090197872-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE CHRNA2, CHRNA6, CHRNA3 KMT2A 2614/4885KCNQ3 707/4885KCNQ2 898/4885

“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.