SCHEMBL6400329

SCHEMBL6400329

CC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NON(C=O)[C@@H](CC)CS(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
ALPL P05186 4/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.34
PDE10A Q9Y233 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31

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
SCHEMBL6399831 0.89 CYP1A2 (0.34) CYP1A2HIF1AEPAS1ALPLKMT2A
SCHEMBL6401567 0.87 PDE10A (0.35) CYP1A2HIF1AEPAS1ALPLKMT2A
SCHEMBL6399544 0.87 HIF1A (0.35) CYP1A2HIF1AEPAS1ALPLKMT2A
SCHEMBL6400981 0.86 HPGD (0.36) CYP1A2HIF1AEPAS1ALPLKMT2A
SCHEMBL6607311 0.84 HIF1A (0.36) CYP1A2HIF1AEPAS1KMT2ARAB9A
SCHEMBL6401254 0.82 CYP1A2 (0.35) CYP1A2HIF1AEPAS1KMT2ARAB9A
SCHEMBL6401582 0.81 CYP1A2 (0.38) CYP1A2HIF1AEPAS1KMT2ARAB9A
SCHEMBL6400533 0.81 CYP1A2 (0.38) CYP1A2HIF1AEPAS1KMT2ARAB9A
SCHEMBL6397522 0.79 CYP1A2 (0.35) CYP1A2HIF1AEPAS1ALPLKMT2A
SCHEMBL6607276 0.78 CYP1A2 (0.42) CYP1A2HIF1AEPAS1ALPLKMT2A

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-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists WOOD MICHAEL R (US) 2005-04-21 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-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists BDKRB1, BDKRB2, CNR2 CYP1A2 1020/4885HIF1A 808/4885EPAS1 736/4885

“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.