SCHEMBL4090589

SCHEMBL4090589

O=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
KCNQ5 Q9NR82 1/20 0.56
RAB9A P51151 4/20 0.53
NPC1 O15118 4/20 0.53
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KCNK3 O14649 1/20 0.45
BTK Q06187 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 1/20 0.44

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 SCHEMBL4094581 0.99 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ5RAB9ANPC1
SCHEMBL1150269 0.89 HTR1F (0.43) KCNQ3KCNQ2KCNQ5RAB9ANPC1
SCHEMBL4085016 0.89 HTR1F (0.50) KCNQ3KCNQ2RAB9ANPC1KCNE1
Hydrochloric Acid SCHEMBL1149490 0.88 HTR1F (0.43) KCNQ3KCNQ2KCNQ5RAB9ANPC1
Hydrochloric Acid SCHEMBL4091202 0.88 HTR1F (0.49) KCNQ3KCNQ2RAB9ANPC1KCNE1
SCHEMBL4095142 0.87 RAB9A (0.44) KCNQ3KCNQ2KCNQ5RAB9ANPC1
SCHEMBL1150425 0.87 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ5KCNE1KCNQ1
SCHEMBL1149603 0.87 CRACR2A (0.53) RAB9ANPC1MEN1KMT2ABTK
SCHEMBL2063619 0.87 ALKBH1 (0.50) KCNQ3KCNQ2RAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL4095369 0.86 KCNQ3 (0.57) KCNQ3KCNQ2KCNQ5RAB9ANPC1

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-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

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 KCNQ3 707/4885KCNQ2 898/4885KCNQ5 845/4885

“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.