SCHEMBL785646

SCHEMBL785646

COC(=O)c1ccc2c(c1)C(N(CC(C)C)C(=O)c1ccccc1Cl)CC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.41
SLC6A4 P31645 10/20 0.41
SLC6A3 Q01959 10/20 0.41
KCNH2 Q12809 5/20 0.41
OPRK1 P41145 1/20 0.41
WDR5 P61964 1/20 0.39
KMT2A Q03164 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
KCNA5 P22460 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL785647 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL803175 0.90 LMNA (0.39) SLC6A2SLC6A4SLC6A3KCNH2WDR5
SCHEMBL785382 0.89 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL785381 0.89 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL803508 0.89 WDR5 (0.41) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL484427 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL484428 0.86 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL803189 0.85 TRPM8 (0.43) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL13131593 0.84 HPGD (0.46) SLC6A2SLC6A4SLC6A3WDR5KMT2A
SCHEMBL803190 0.84 HPGD (0.46) SLC6A2SLC6A4SLC6A3WDR5KMT2A

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SLC6A2 1966/4885SLC6A4 1682/4885SLC6A3 1597/4885

“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.