SCHEMBL16379677

SCHEMBL16379677

Brc1nccc2c1CNCC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ASIC3 Q9UHC3 1/20 0.43
PRCP P42785 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CD44 P16070 1/20 0.41
MAOB P27338 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
Bromide SCHEMBL21522156 0.82 PNMT (0.32) PNMTASIC3CD44HTR2AHTR2C
SCHEMBL16220595 0.82 PNMT (0.52) PNMTADRA2AADRA2BADRA2CCHRM2
SCHEMBL16217188 0.79 PNMT (0.44) PNMTADRA2AADRA2BADRA2CCHRM2
SCHEMBL30474281 0.79 PNMT (0.46) PNMTADRA2AADRA2BADRA2CCHRM2
SCHEMBL1593053 0.79 NOS3 (0.56) PNMTADRA2AADRA2BADRA2CCHRM2
SCHEMBL25173279 0.79 PNMT (0.53) PNMTADRA2AADRA2BADRA2CCHRM2
SCHEMBL30403469 0.79 PNMT (0.53) PNMTADRA2AADRA2BADRA2CCHRM2
SCHEMBL19042532 0.79 PNMT (0.44) PNMTADRA2AADRA2BADRA2CCHRM2
SCHEMBL16209946 0.75 PNMT (0.47) PNMTADRA2AADRA2BADRA2CCHRM2
SCHEMBL19678844 0.75 PNMT (0.41) PNMTADRA2AADRA2BADRA2CCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 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-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A PNMT 750/4885ADRA2A 95/4885ADRA2B 83/4885

“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.