SCHEMBL21768427

SCHEMBL21768427

Cc1ncc(Br)c(N2CCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.50
ABL1 P00519 7/20 0.44
BCR P11274 7/20 0.44
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPY5R Q15761 3/20 0.37
OPRK1 P41145 1/20 0.36
CYP1A2 P05177 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL26337498 0.81 GBA1 (0.42) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL19105595 0.76 MAPK1 (0.37) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL25559304 0.76 MEN1 (0.46) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL21780697 0.75 MEN1 (0.38) MAPK1HSD17B10L3MBTL1MEN1KMT2A
SCHEMBL26629817 0.71 OPRK1 (0.34) MAPK1ALDH1A1TSHRABL1BCR
SCHEMBL29732880 0.70 ALDH1A1 (0.51) MAPK1ALDH1A1TSHRABL1BCR
SCHEMBL17703487 0.70 OPRK1 (0.64) MAPK1ALDH1A1TSHRHSD17B10OPRK1
SCHEMBL26121984 0.69 TSHR (0.42) MAPK1ALDH1A1TSHRHSD17B10MEN1
SCHEMBL30599902 0.69 TSHR (0.42) MAPK1ALDH1A1TSHRHSD17B10MEN1
SCHEMBL22229900 0.69 ALDH1A1 (0.51) MAPK1ALDH1A1TSHRHSD17B10L3MBTL1

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 3 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
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 MAPK1 2996/4885ALDH1A1 337/4885TSHR 2261/4885

“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.