SCHEMBL16640416

SCHEMBL16640416

CC(C)(C)OC(=O)N1CCNC(c2ccc(I)s2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
USP30 Q70CQ3 6/20 0.38
PDE4B Q07343 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
ESR2 Q92731 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
NR1H2 P55055 1/20 0.36
RORC P51449 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
SCHEMBL16640405 0.88 MAPK1 (0.42) MAPK1KDM4EMAPTTHRBUSP30
SCHEMBL16640400 0.86 MAPK1 (0.40) MAPK1KDM4EMAPTTHRBUSP30
SCHEMBL16640403 0.86 MAPK1 (0.40) MAPK1KDM4EMAPTTHRBUSP30
SCHEMBL16640404 0.80 MAPK1 (0.44) MAPK1KDM4EMAPTUSP30GPR119
SCHEMBL28225677 0.79 MAPK1 (0.50) MAPK1KDM4EUSP30GPR119RORC
SCHEMBL5651780 0.79 MAPK1 (0.50) MAPK1KDM4EUSP30GPR119RORC
SCHEMBL940218 0.79 MAPK1 (0.50) MAPK1KDM4EUSP30GPR119RORC
SCHEMBL19745334 0.79 MAPK1 (0.50) MAPK1KDM4EUSP30GPR119RORC
Hydrochloric Acid SCHEMBL28503227 0.78 MAPK1 (0.49) MAPK1KDM4EUSP30GPR119RORC
SCHEMBL30430522 0.77 GPR119 (0.50) MAPK1KDM4EMAPTTHRBUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP 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
WO-2015055698-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-23 WO 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 (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-20150105397-A1 Piperazine derivatives and the use thereof as medicament SLC6A7, SLC7A11, SLC7A1 MAPK1 2451/4885KDM4E 4255/4885MAPT 1264/4885

“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.