SCHEMBL21527353

SCHEMBL21527353

N#Cc1ccc(C2CCNCC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
CHRND Q07001 1/20 0.49
CYP11B2 P19099 4/20 0.46
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP17A1 P05093 1/20 0.46
HRH1 P35367 1/20 0.46
HTR6 P50406 1/20 0.45
SLC6A2 P23975 8/20 0.42
SLC6A4 P31645 8/20 0.42
SLC6A3 Q01959 7/20 0.42
HTR1A P08908 4/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL16839687 0.85 CYP11B2 (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL2325813 0.82 CYP11B2 (0.45) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL2175583 0.80 HTR2C (0.54) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL29556433 0.80 HTR6 (0.40) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL22009927 0.80 HTR6 (0.40) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL10616076 0.80 CYP11B2 (0.43) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL10616066 0.80 CYP11B2 (0.43) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL2297721 0.80 HTR2C (0.58) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL187795 0.79 SLC6A2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL30232333 0.79 SLC6A2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4HTR6

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-20190330189-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2019-10-31 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-20190330189-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 CHRNA1 4814/4885CHRNG 4685/4885CHRNB1 4836/4885

“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.