SCHEMBL4085016

SCHEMBL4085016

O=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 7/20 0.50
HTR1A P08908 4/20 0.50
HTR1B P28222 3/20 0.50
HTR1D P28221 3/20 0.50
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
BACE1 P56817 1/20 0.47
P4HTM Q9NXG6 1/20 0.46
PTPN1 P18031 2/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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 SCHEMBL4091202 0.99 HTR1F (0.49) HTR1FHTR1AHTR1BHTR1DKCNQ3
SCHEMBL1150425 0.91 KCNQ3 (0.56) HTR1FHTR1AHTR1BHTR1DKCNQ3
SCHEMBL4089385 0.91 KMT2A (0.43) HTR1FHTR1AHTR1BHTR1DNPC1
SCHEMBL4084213 0.91 KCNQ3 (0.49) HTR1FHTR1AHTR1BHTR1DKCNQ3
SCHEMBL1150269 0.91 HTR1F (0.43) HTR1FHTR1AHTR1BHTR1DKCNQ3
SCHEMBL2063619 0.90 ALKBH1 (0.50) KCNQ3KCNQ2P4HTMPTPN1PTPN11
Hydrochloric Acid SCHEMBL1149973 0.90 KCNQ3 (0.55) HTR1FHTR1AHTR1BHTR1DKCNQ3
Hydrochloric Acid SCHEMBL1149490 0.90 HTR1F (0.43) HTR1FHTR1AHTR1BHTR1DKCNQ3
Hydrochloric Acid SCHEMBL4086359 0.90 KCNQ3 (0.48) HTR1FHTR1AHTR1BHTR1DKCNQ3
Hydrochloric Acid SCHEMBL4094577 0.90 KMT2A (0.43) HTR1FHTR1AHTR1BHTR1DNPC1

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 HTR1F 379/4885HTR1A 91/4885HTR1B 97/4885

“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.