SCHEMBL17813945

SCHEMBL17813945

COC(=O)Cn1c(=O)n(C2CCNCC2)c2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.55
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 3/20 0.43
HSD11B1 P28845 2/20 0.42
OPRL1 P41146 3/20 0.42
OPRD1 P41143 1/20 0.42
ENPP2 Q13822 1/20 0.40
PLA2G1B P04054 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11848362 0.88 DRD2 (0.46) CTSSDRD2SLC6A4OPRM1HSD11B1
SCHEMBL17813949 0.87 CTSS (0.55) CTSSOPRM1OPRL1OPRD1
Hydrochloric Acid SCHEMBL11844077 0.87 DRD2 (0.45) CTSSDRD2SLC6A4OPRM1HSD11B1
SCHEMBL19349930 0.86 CTSS (0.51) CTSSDRD2SLC6A4OPRM1HSD11B1
SCHEMBL17813948 0.85 ENPP2 (0.52) CTSSDRD2SLC6A4OPRM1HSD11B1
SCHEMBL14417274 0.85 KDM4E (0.55) OPRM1OPRL1OPRD1HSD17B10KDM4E
SCHEMBL17813946 0.83 DRD2 (0.52) CTSSDRD2SLC6A4OPRM1HSD11B1
SCHEMBL17813947 0.82 CTSS (0.53) CTSSDRD2SLC6A4OPRM1HSD11B1
SCHEMBL17813944 0.81 CTSS (0.56) CTSSDRD2SLC6A4OPRM1HSD11B1
SCHEMBL19350022 0.78 DRD2 (0.43) CTSSDRD2SLC6A4OPRM1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 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 (3 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-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B CTSS 2891/4885DRD2 28/4885SLC6A4 1293/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B CTSS 2891/4885DRD2 28/4885SLC6A4 1293/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A CTSS 2938/4885DRD2 5/4885SLC6A4 1754/4885

“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.