SCHEMBL10136514

SCHEMBL10136514

CC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 13/20 0.57
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
AOC3 Q16853 1/20 0.50
ACACB O00763 1/20 0.48
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
RORC P51449 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL31627497 0.87 ALDH1A1 (0.51) PANK3GAAL3MBTL1ALDH1A1HSD17B10
SCHEMBL26027621 0.87 PANK3 (0.60) PANK3ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL23600944 0.85 PANK3 (0.58) PANK3SMO
SCHEMBL24721335 0.85 PANK3 (0.58) PANK3HSD17B10ACACBTSHRSMN1; SMN2
SCHEMBL24721124 0.85 PANK3 (0.54) PANK3ACACBCKS1BSKP1SKP2
SCHEMBL8291092 0.82 SMN1; SMN2 (0.65) PANK3GAAALDH1A1HSD17B10KDM4E
SCHEMBL26027593 0.82 PANK3 (0.56) PANK3
SCHEMBL13428610 0.81 PANK3 (0.55) PANK3L3MBTL1ALDH1A1CKS1BSKP1
SCHEMBL19105531 0.80 PANK3 (0.52) PANK3GAAL3MBTL1CKS1BSKP1
SCHEMBL1630859 0.80 L3MBTL1 (0.58) PANK3GAAL3MBTL1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
WO-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2019-04-11 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK PANK3 297/4885GAA 2227/4885L3MBTL1 2745/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP PANK3 2527/4885GAA 725/4885L3MBTL1 1897/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 PANK3 105/4885GAA 3514/4885L3MBTL1 4396/4885
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 PANK3 3266/4885GAA 4405/4885L3MBTL1 3887/4885

“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.