SCHEMBL6721780

SCHEMBL6721780

Oc1ccc2c(c1)N(Cc1cscn1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
CHRM4 P08173 1/20 0.49
PKM P14618 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
DRD2 P14416 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 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
SCHEMBL6256074 0.83 KMT2A (0.39) PKMKMT2AMAPTMEN1GAA
SCHEMBL5800691 0.82 ALDH1A1 (0.35) CHRM2CHRM4PKMKMT2AMAPT
SCHEMBL6712914 0.78 ALDH1A1 (0.35) PKMKMT2AMAPTMEN1GAA
SCHEMBL4975930 0.73 CHRM2 (0.56) CHRM2CHRM4DRD2L3MBTL1HDAC1
SCHEMBL4400467 0.72 CHRM2 (0.61) CHRM2CHRM4TRPV1KMT2AMEN1
SCHEMBL4503966 0.70 CHRM2 (0.58) CHRM2CHRM4TRPV1KMT2AMAPT
SCHEMBL12359744 0.69 CHRM2 (0.40) CHRM2CHRM4TRPV1KMT2AMAPT
SCHEMBL10901574 0.69 CHRM2 (0.57) CHRM2CHRM4TRPV1KMT2AMAPT
SCHEMBL9299712 0.69 CHRM2 (0.57) CHRM2CHRM4TRPV1KMT2AMAPT
SCHEMBL12479846 0.69 CHRM2 (0.57) CHRM2CHRM4TRPV1KMT2AMAPT

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-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CHRM2 4588/4885CHRM4 4619/4885PKM 2464/4885

“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.