Sugi Predict

Sugi Predict / Compounds / SCHEMBL5501

SCHEMBL5501

SCHEMBL5501

CN(C)C(=O)CN1CC[N]CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ DRD2 P14416 1/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ ABL2 P42684 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL2648031 0.92 ALDH1A1 (0.47) ALDH1A1DRD2NPC1LMNARAB9A
SCHEMBL9043181 0.90 ALDH1A1 (0.49) ALDH1A1DRD2NPC1LMNARAB9A
SCHEMBL1377151 0.85 ALDH1A1 (0.40) ALDH1A1DRD2NPC1LMNARAB9A
SCHEMBL8290941 0.82 ALDH1A1 (0.56) ALDH1A1DRD2MEN1KMT2ASIGMAR1
SCHEMBL4958458 0.82 ALDH1A1 (0.56) ALDH1A1DRD2NPC1LMNARAB9A
SCHEMBL2650435 0.82 KDM4E (0.50) ALDH1A1LMNAKDM4EKMT2ASIGMAR1
SCHEMBL8290942 0.80 ALDH1A1 (0.55) ALDH1A1DRD2MEN1KMT2ASIGMAR1
SCHEMBL15043685 0.80 ALDH1A1 (0.59) ALDH1A1DRD2NPC1LMNARAB9A
SCHEMBL3314926 0.79 SIGMAR1 (0.42) ALDH1A1MEN1KMT2ASIGMAR1POLB
SCHEMBL12325467 0.78 ALDH1A1 (0.58) ALDH1A1DRD2NPC1LMNARAB9A

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 — — US claimed
WO-2011058111-A1 AMINOPURINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 — — WO claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 — — US claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 — — EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 — — WO claimed
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 — — EP claimed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 — — US claimed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 — — US claimed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 — — US claimed
JP-2003502405-A — — 2003-01-21 — — JP claimed
WO-2002050057-A1 NOVEL BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF GABA-ALPHA MEDIATED DISORDERS NEUROSEARCH A/S (DK) 2002-06-27 — — WO claimed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 — — EP claimed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 — — WO claimed
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 — — US disclosed
US-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-09-27 — — US disclosed
EP-3356367-A1 FUSED PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-08-08 — — EP disclosed
EP-0551993-A1 Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-07-21 — — EP disclosed
EP-0505413-A1 BETA-LACTAM DERIVATIVES. ERBA FARMITALIA (IT) 1992-09-30 — — EP disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 — — WO disclosed
WO-1991009036-A1 BETA-LACTAM DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1991-06-27 — — WO 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 (5 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ALDH1A1 977/4885DRD2 1816/4885NPC1 3894/4885
US-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors PI4KA, PI4KB, PI4K2B ALDH1A1 3497/4885DRD2 4426/4885NPC1 3348/4885
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK ALDH1A1 3998/4885DRD2 3905/4885NPC1 3863/4885
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB ALDH1A1 3654/4885DRD2 4764/4885NPC1 4159/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 ALDH1A1 1345/4885DRD2 1504/4885NPC1 3859/4885

“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.