SCHEMBL4084213

SCHEMBL4084213

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.49
KCNQ2 O43526 3/20 0.49
KCNE1 P15382 2/20 0.49
KCNQ1 P51787 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
P4HTM Q9NXG6 1/20 0.46
TSHR P16473 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ALOX15 P16050 1/20 0.45
CHRNA7 P36544 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
KCNQ5 Q9NR82 1/20 0.43
NT5E P21589 1/20 0.43

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 SCHEMBL4086359 0.99 KCNQ3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL4085016 0.91 HTR1F (0.50) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
Hydrochloric Acid SCHEMBL4091202 0.89 HTR1F (0.49) KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2
SCHEMBL4089385 0.88 KMT2A (0.43) SMN1; SMN2RAB9ACHRNA7KMT2ACYP11B1
SCHEMBL2063619 0.88 ALKBH1 (0.50) KCNQ3KCNQ2RAB9AP4HTMKMT2A
Hydrochloric Acid SCHEMBL4094577 0.87 KMT2A (0.43) SMN1; SMN2RAB9ACHRNA7KMT2ACYP11B1
Hydrochloric Acid SCHEMBL2063475 0.87 ALKBH1 (0.49) KCNQ3KCNQ2RAB9AP4HTMKMT2A
SCHEMBL1150425 0.86 KCNQ3 (0.56) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
Hydrochloric Acid SCHEMBL4095369 0.86 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL4079918 0.85 KMT2A (0.50) SMN1; SMN2RAB9ALMNAMAPTP4HTM

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.