SCHEMBL16224775

SCHEMBL16224775

CC(C)[C@@]1(C)C(=O)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HTR2C P28335 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
PARP1 P09874 1/20 0.40
CTRB1 P17538 1/20 0.40

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
SCHEMBL16732775 0.82 NPC1 (0.50) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL31105414 0.78 NPC1 (0.46) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL16224769 0.77 HTR2C (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23123961 0.77 NPC1 (0.47) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL22120172 0.76 MEN1 (0.51) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL16980487 0.76
SCHEMBL10797345 0.75 ALDH1A1 (0.53) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3183005 0.74 MEN1 (0.52) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL22121200 0.74 MEN1 (0.55) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL31628788 0.74 CTRB1 (0.44) NPC1RAB9AL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
WO-2014179564-A1 THIAZALOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2014-11-06 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-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA NPC1 863/4885RAB9A 1137/4885L3MBTL1 4598/4885

“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.