SCHEMBL21780804

SCHEMBL21780804

Cc1cnc(-c2cccc3c2CC(=O)N3)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
OPRL1 P41146 3/20 0.53
JAK2 O60674 3/20 0.45
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43
CCNB2 O95067 5/20 0.41
CDK1 P06493 5/20 0.41
CCNB1 P14635 5/20 0.41
GSK3B P49841 5/20 0.41
CCNB3 Q8WWL7 5/20 0.41
CDK5 Q00535 4/20 0.41
CDK5R1 Q15078 4/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
ABL1 P00519 1/20 0.40
KDM1A O60341 1/20 0.40
GSK3A P49840 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL19105607 0.86 OPRM1 (0.51) OPRM1OPRL1JAK2PIP4K2APIP4K2B
SCHEMBL21780807 0.78 OPRM1 (0.49) OPRM1OPRL1JAK2PIP4K2APIP4K2B
SCHEMBL1402228 0.75 DRD2 (0.47) OPRM1CCNB2CDK1CCNB1GSK3B
SCHEMBL19105609 0.72 OPRM1 (0.47) OPRM1OPRL1JAK2PIP4K2APIP4K2B
SCHEMBL20388998 0.72 DHPS (0.49) OPRM1OPRL1JAK2PIP4K2APIP4K2B
SCHEMBL21780675 0.72 OPRM1 (0.51) OPRM1OPRL1JAK2PIP4K2APIP4K2B
SCHEMBL5830608 0.71 JAK2 (0.58) OPRM1OPRL1JAK2PIP4K2APIP4K2B
SCHEMBL19145392 0.70 ABL1 (0.54) OPRM1OPRL1JAK2PIP4K2APIP4K2B
SCHEMBL6322118 0.70 PIP4K2A (0.44) OPRM1OPRL1PIP4K2APIP4K2BCCNB2
SCHEMBL26127667 0.70 TSHR (0.38) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 OPRM1 5/4885OPRL1 3/4885JAK2 2149/4885

“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.