SCHEMBL393116

SCHEMBL393116

N[C@H]1CC[C@H](CN(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PKM P14618 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.46
KCNA5 P22460 1/20 0.46
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
MC3R P41968 1/20 0.45
TSHR P16473 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
LPAR1 Q92633 4/20 0.44
LPAR5 Q9H1C0 4/20 0.44
AGTR2 P50052 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL5030087 1.00 HDAC1 (0.52) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL3372477 0.92 HDAC1 (0.58) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL5722085 0.86 HDAC1 (0.53) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL5722086 0.86 HDAC1 (0.53) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL8773484 0.84 HDAC1 (0.61) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL2840174 0.81 MEN1 (0.50) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL1700511 0.81 MEN1 (0.50) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL2009587 0.81 GBA1 (0.53) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL21400325 0.81 HDAC1 (0.55) HDAC1HDAC6PKMMEN1KMT2A
SCHEMBL2934724 0.78 NPC1 (0.53) HDAC1HDAC6PKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493412-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 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 (2 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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 HDAC1 553/4885HDAC6 2076/4885PKM 1779/4885
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL HDAC1 224/4885HDAC6 465/4885PKM 842/4885

“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.