SCHEMBL784510

SCHEMBL784510

O=C(O)c1ccc2c(c1)C(NC(=O)[C@@H]1CCCc3ccccc31)CC2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
P2RX7 Q99572 1/20 0.53
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.51
TAS1R3 Q7RTX0 5/20 0.49
TAS1R1 Q7RTX1 5/20 0.49
ALDH1A1 P00352 4/20 0.48
TAS1R2 Q8TE23 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 2/20 0.47
MEN1 O00255 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47

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
SCHEMBL784841 1.00 HTT (0.55) HTTP2RX7LMNAKMT2ATAS1R3
SCHEMBL784842 1.00 HTT (0.55) HTTP2RX7LMNAKMT2ATAS1R3
SCHEMBL784509 1.00 HTT (0.55) HTTP2RX7LMNAKMT2ATAS1R3
SCHEMBL785568 0.94 PDE4A (0.50) HTTP2RX7LMNAKMT2ATAS1R3
SCHEMBL785457 0.94 PDE4A (0.50) HTTP2RX7LMNAKMT2ATAS1R3
SCHEMBL803573 0.88 KMT2A (0.53) HTTP2RX7LMNAKMT2ATAS1R3
SCHEMBL803182 0.88 KMT2A (0.53) HTTP2RX7LMNAKMT2ATAS1R3
SCHEMBL803542 0.81 KMT2A (0.56) P2RX7KMT2ATAS1R3TAS1R1L3MBTL1
SCHEMBL785499 0.80 CA12 (0.53) HTTLMNAKMT2ATAS1R3TAS1R1
SCHEMBL785068 0.80 CA12 (0.53) HTTLMNAKMT2ATAS1R3TAS1R1

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 HTT 2709/4885P2RX7 140/4885LMNA 1463/4885

“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.