SCHEMBL4085694

SCHEMBL4085694

O=C(Nc1ccc(N2CCN3CCC2CC3)nc1)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.57
KCNQ2 O43526 4/20 0.57
KCNE1 P15382 2/20 0.57
KCNQ1 P51787 2/20 0.57
KCNQ5 Q9NR82 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
IDO1 P14902 3/20 0.48
SMO Q99835 1/20 0.47
CSF1R P07333 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45

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
SCHEMBL3252070 0.88 ULK1 (0.47) KCNQ3KCNQ2RAB9ANPC1MAPT
SCHEMBL3246091 0.87 KCNH2 (0.51) KCNQ3KCNQ2KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL3252697 0.87 ULK1 (0.46) KCNQ3KCNQ2RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL4095369 0.87 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
Hydrochloric Acid SCHEMBL3252683 0.86 KCNH2 (0.50) KCNQ3KCNQ2KMT2ARAB9ANPC1
SCHEMBL3244037 0.86 KDM4E (0.45) KCNQ3KCNQ2KMT2ARAB9ANPC1
SCHEMBL3249731 0.85 KMT2A (0.59) KCNQ3KCNQ2MEN1KMT2ARAB9A
SCHEMBL3248045 0.85 RORC (0.53)
Hydrochloric Acid SCHEMBL3240697 0.84 KMT2A (0.58) KCNQ3KCNQ2MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL3252662 0.84 RORC (0.52)

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 1 patent. 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

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 898/4885KCNE1 1454/4885

“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.