SCHEMBL68594

SCHEMBL68594

CC(=O)N1CCC(=O)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.72
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
LMNA P02545 2/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 1/20 0.58
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B3 P37058 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BRD4 O60885 1/20 0.45

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
SCHEMBL642025 0.92 NOTUM (0.70) NOTUMCYP2D6CYP2C9LMNARAB9A
SCHEMBL28021992 0.84 LMNA (0.68) NOTUMCYP2D6CYP2C9LMNARAB9A
SCHEMBL1048074 0.84 NOTUM (1.00) NOTUMCYP2D6CYP2C9LMNARAB9A
SCHEMBL30003296 0.84 NOTUM (1.00) NOTUMCYP2D6CYP2C9LMNARAB9A
SCHEMBL608410 0.83 NOTUM (0.54) NOTUMCYP2D6CYP2C9LMNARAB9A
SCHEMBL9956661 0.83 LMNA (0.58) NOTUMCYP2D6CYP2C9LMNARAB9A
SCHEMBL10869086 0.82 LMNA (0.55) NOTUMLMNARAB9AHTTPOLB
SCHEMBL14412439 0.81 NOTUM (0.51) NOTUMCYP2D6CYP2C9LMNARAB9A
SCHEMBL842907 0.80 HPGD (0.64) NOTUMLMNARAB9AHTTALDH1A1
SCHEMBL31562020 0.79 LMNA (0.66) NOTUMCYP2D6CYP2C9LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196512-A1 PROPARGYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE BRD4 Plexium, Inc. (US) 2023-10-12 WO disclosed
WO-2023196512-A1 PROPARGYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT MODULATE BRD4 Plexium, Inc. (US) 2023-10-12 WO disclosed
US-20220363621-A1 LIGHT INDUCED CATALYTIC C-H OXYGENATION OF ALKANES Ariel Scientific Innovations Ltd. (IL) 2022-11-17 US disclosed
CN-109503478-B 2, 3-dihydro-1H-quinoline-4-ketone thiosemicarbazone derivative and preparation method and application thereof 岭南师范学院 2020-04-24 CN disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1975210-A1 Ink set for inkjet recording and inkjet recording method FUJIFILM Corporation (JP) 2008-10-01 EP disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
EP-1944173-A1 Ink composition and inkjet recording method using the same FUJIFILM Corporation (JP) 2008-07-16 EP disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
US-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 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 (2 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-20220363621-A1 LIGHT INDUCED CATALYTIC C-H OXYGENATION OF ALKANES CBR1, CBR3, HCCS NOTUM 458/4885CYP2D6 119/4885CYP2C9 220/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 NOTUM 2774/4885CYP2D6 2309/4885CYP2C9 2322/4885

“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.