SCHEMBL490194

SCHEMBL490194

COC(=O)c1ccc2c(=O)c3ccccc3sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.52
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KIF11 P52732 1/20 0.51
PARP1 P09874 1/20 0.51
LMNA P02545 3/20 0.50
MAPK1 P28482 1/20 0.50
PMM2 O15305 1/20 0.49
MPI P34949 1/20 0.49
PHOSPHO1 Q8TCT1 1/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL12520420 0.91 MAPT (0.60) MAPTALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL10989791 0.85 ALDH1A1 (0.54) MAPTALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL31314634 0.85 CMA1 (0.48) MAPTALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL4541593 0.85 CMA1 (0.48) MAPTALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL29456885 0.84 KDM4E (0.46) MAPTALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL52243 0.84 KDM4E (0.46) MAPTALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL9450944 0.83 CYP1A2 (0.56) MAPTALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL10846058 0.82 MAPT (0.46) MAPTALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL30852977 0.82 ALDH1A1 (0.52) MAPTALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL490172 0.81 TTR (0.54) MAPTALDH1A1KDM4ERAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-8106207-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-01-31 US disclosed
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 US disclosed
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2011-10-06 US disclosed
US-7982042-B2 delta-opioid receptor agonists as analgesics having reduced side effects and antagonists as immunosuppressants, antiinflammatory agents, neurological, psychiatric , urological and reproductive conditions;N-{2-[10-(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenothiazine-3-yl]-phenyl}-acetamide Janseen Pharmacautica NV (BE) 2011-07-19 US disclosed
US-7982042-B2 delta-opioid receptor agonists as analgesics having reduced side effects and antagonists as immunosuppressants, antiinflammatory agents, neurological, psychiatric , urological and reproductive conditions;N-{2-[10-(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-10H-phenothiazine-3-yl]-phenyl}-acetamide Janseen Pharmacautica NV (BE) 2011-07-19 US disclosed
US-7589103-B2 Especially 2-aminocarbonyl-9-(thio)xanthenylidene-8-aza-bicyclo[3.2.1] octane derivatives are used in pharmaceutical and veterinary compositions for treating mild to severe pain and various diseases JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-15 US disclosed
US-7589103-B2 Especially 2-aminocarbonyl-9-(thio)xanthenylidene-8-aza-bicyclo[3.2.1] octane derivatives are used in pharmaceutical and veterinary compositions for treating mild to severe pain and various diseases JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-15 US disclosed
EP-1644373-A1 TRICYCLIC DELTA OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-12 EP disclosed
US-6916938-B2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-12 US disclosed
WO-2005003131-A1 TRICYCLIC DELTA OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed
US-20050009860-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-13 US disclosed
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-11 US disclosed
EP-1334956-A2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-13 EP disclosed
US-4505794-A PHOTOINITIATORS WITH AMINES FOR PHOTOPOLYMERIZATION OF UNSATURATEDCOMPOUNDS; SOLUBILITY CIBA-GEIGY CORPORATION (US) 1985-03-19 US disclosed
US-4506083-A INITIATORS FOR PHOTOPOLYMERIZATION OR PHOTOCHEMICAL CROSSLINKING CIBA-GEIGY CORPORATION (US) 1985-03-19 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-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MAPT 1156/4885ALDH1A1 1302/4885KDM4E 2174/4885
US-20050009860-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAPT 1156/4885ALDH1A1 1302/4885KDM4E 2174/4885
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound TST, SDHB, GPX4 MAPT 4574/4885ALDH1A1 2869/4885KDM4E 1487/4885
US-20110245291-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MAPT 1156/4885ALDH1A1 1302/4885KDM4E 2174/4885

“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.