SCHEMBL13543766

SCHEMBL13543766

CN(C)CCc1ccc([N+](=O)[O-])nc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
PKM P14618 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
KCNH2 Q12809 2/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL25208046 0.78 MAPT (0.41) MAPTRAB9APOLB
SCHEMBL17596553 0.78 TSHR (0.55) MAPTRAB9APOLB
SCHEMBL30423225 0.78 TSHR (0.55) MAPTRAB9APOLB
SCHEMBL30423048 0.78 MAPT (0.41) MAPTRAB9APOLB
SCHEMBL18291356 0.78 MAPT (0.41) CHRNA7TAAR1MAPTRAB9APOLB
SCHEMBL12763656 0.78 MAPT (0.44) MAPTRAB9APOLB
SCHEMBL10265072 0.76 MAPT (0.42) HRH3PKMMAPTRAB9APOLB
SCHEMBL10265053 0.75 CHRNB2 (0.54) HRH3KCNH2MAPT
SCHEMBL5109117 0.74 MAPT (0.44) MAPTRAB9APOLB
SCHEMBL30942630 0.74 MAPT (0.44) MAPTRAB9APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 US disclosed
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 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-20100004243-A1 PHARMACEUTICAL COMPOUNDS CDK1, CDK2, CDK4 CHRNA7 2277/4885HRH3 1937/4885PKM 734/4885

“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.