SCHEMBL21780690

SCHEMBL21780690

CC(=O)N1CCN(c2cc(C)c(C)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.57
GBA1 P04062 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
BPTF Q12830 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
KDR P35968 1/20 0.44
AOC3 Q16853 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL21768430 0.86 SMO (0.54) SMOGBA1ALDH1A1GAAHSD17B10
SCHEMBL19105576 0.85 SMO (0.53) SMOGBA1ALDH1A1GAAHSD17B10
SCHEMBL14256879 0.84 CYP1A2 (0.46) SMOALDH1A1GAA
SCHEMBL30983925 0.84 SMO (0.52) SMOGBA1ALDH1A1GAAHSD17B10
SCHEMBL20804678 0.80 CKS1B (0.54) SMOGBA1ALDH1A1GAAHSD17B10
SCHEMBL12051485 0.77 GBA1 (0.57) SMOGBA1ALDH1A1CKS1BSKP1
SCHEMBL1630859 0.77 L3MBTL1 (0.58) SMOGBA1ALDH1A1GAAHSD17B10
SCHEMBL15450884 0.76 KDM4E (0.51) SMOGBA1ALDH1A1HSD17B10CKS1B
SCHEMBL24196360 0.76 SMO (0.47) SMOGBA1ALDH1A1GAAHSD17B10
SCHEMBL19121825 0.75 CNR2 (0.50) ALDH1A1GAAHSD17B10L3MBTL1

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 SMO 2661/4885GBA1 3753/4885ALDH1A1 337/4885

“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.