SCHEMBL16640404

SCHEMBL16640404

CC(C)(C)OC(=O)N1CCNC(c2cccs2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
BRD4 O60885 4/20 0.40
BRDT Q58F21 1/20 0.40
GBA1 P04062 1/20 0.39
USP30 Q70CQ3 3/20 0.38
RORC P51449 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL10935921 0.84 BRD4 (0.56) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL5651780 0.83 MAPK1 (0.50) MAPK1KDM4EGPR119USP30RORC
SCHEMBL19745334 0.83 MAPK1 (0.50) MAPK1KDM4EGPR119USP30RORC
SCHEMBL940218 0.83 MAPK1 (0.50) MAPK1KDM4EGPR119USP30RORC
SCHEMBL28225677 0.83 MAPK1 (0.50) MAPK1KDM4EGPR119USP30RORC
SCHEMBL16640405 0.82 MAPK1 (0.42) MAPK1KDM4EMAPTKMT2AGPR119
Hydrochloric Acid SCHEMBL28503227 0.81 MAPK1 (0.49) MAPK1KDM4EGPR119USP30RORC
SCHEMBL28989250 0.81 BRD4 (0.40) ALDH1A1GAAMAPTALOX15HSD17B10
SCHEMBL16640416 0.80 MAPK1 (0.40) MAPK1KDM4EMAPTGPR119USP30
SCHEMBL16640403 0.80 MAPK1 (0.40) MAPK1KDM4EMAPTGPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036605-A Antagonists of GPR39 proteins 俄勒冈健康科学大学 2026-05-15 CN disclosed
US-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN UNIV OREGON HEALTH & SCIENCE (US) 2023-06-08 US disclosed
US-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN UNIV OREGON HEALTH & SCIENCE (US) 2023-06-08 US disclosed
CN-115996908-A Antagonists of GPR39 proteins 俄勒冈健康科学大学 2023-04-21 CN disclosed
EP-4143163-A1 ANTAGONISTS OF GPR39 PROTEIN Oregon Health & Science University (US) 2023-03-08 EP disclosed
WO-2021222858-A1 ANTAGONISTS OF GPR39 PROTEIN OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-11-04 WO disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 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-20150105397-A1 Piperazine derivatives and the use thereof as medicament SLC6A7, SLC7A11, SLC7A1 MAPK1 2451/4885ALDH1A1 479/4885KDM4E 4255/4885
US-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 MAPK1 3174/4885ALDH1A1 3167/4885KDM4E 4797/4885

“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.