SCHEMBL17586456

SCHEMBL17586456

CN1CC2(C1)OC(=O)c1ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
NPY5R Q15761 2/20 0.40
BACE1 P56817 2/20 0.38
CTSD P07339 1/20 0.38
AVPR1A P37288 2/20 0.37
TDP2 O95551 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
BRD4 O60885 1/20 0.35
CTSC P53634 1/20 0.35
S100A4 P26447 1/20 0.34
PTPRC P08575 1/20 0.34
METAP1 P53582 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SRD5A1 P18405 1/20 0.34

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
SCHEMBL17586457 0.89 NPY5R (0.44) OPRM1OPRD1NPY5RAVPR1AHTR2A
SCHEMBL17586460 0.85 AVPR1A (0.48) OPRM1OPRD1NPY5RAVPR1A
SCHEMBL25866294 0.80 OPRM1 (0.43) OPRM1OPRD1NPY5RBACE1AVPR1A
SCHEMBL31758718 0.79 NPY5R (0.36) OPRM1OPRD1NPY5RBACE1CTSD
SCHEMBL12935311 0.79 SIGMAR1 (0.50) NPY5RAVPR1A
SCHEMBL30476241 0.78 CTSC (0.35) AVPR1ACTSC
SCHEMBL18373219 0.78 OPRM1 (0.42) OPRM1OPRD1NPY5RAVPR1ATDP2
SCHEMBL17586451 0.77 RORC (0.42) BACE1
SCHEMBL29922337 0.77 OPRM1 (0.41) OPRM1OPRD1NPY5RAVPR1ATDP2
SCHEMBL18373156 0.76 NPY5R (0.45) OPRM1OPRD1NPY5RAVPR1ATDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479837-B2 Reversible DPP1 inhibitors and uses thereof INSMED INCORPORATED (US) 2025-11-25 US disclosed
EP-4646265-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF Insmed Incorporated (US) 2025-11-12 EP disclosed
US-20250223284-A1 REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2025-07-10 US disclosed
WO-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 WO disclosed
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 WO disclosed
US-RE47636-E1 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-08 US disclosed
EP-3191487-B1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-08-07 EP disclosed
EP-3511331-A1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C Boehringer Ingelheim International GmbH (DE) 2019-07-17 EP disclosed
US-9879026-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-30 US disclosed
US-9879026-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-30 US disclosed
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 US disclosed
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 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 (4 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-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS OPRM1 2695/4885OPRD1 1610/4885NPY5R 2143/4885
US-20250223284-A1 REVERSIBLE DPP1 INHIBITORS AND USES THEREOF DPP4, DPP7, DPP9 OPRM1 3261/4885OPRD1 758/4885NPY5R 1905/4885
US-12479837-B2 Reversible DPP1 inhibitors and uses thereof DPP4, DPP7, DPP9 OPRM1 3261/4885OPRD1 758/4885NPY5R 1905/4885
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS OPRM1 2695/4885OPRD1 1610/4885NPY5R 2143/4885

“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.