SCHEMBL2263418

SCHEMBL2263418

O=C(O)Cc1cccc2occc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
OPRM1 P35372 3/20 0.49
OPRK1 P41145 3/20 0.49
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
AKR1B1 P15121 1/20 0.46
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EED O75530 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL31425844 1.00 TDP1 (0.53) TDP1OPRM1OPRK1MTNR1AMTNR1B
SCHEMBL5986566 0.84 MTNR1A (0.49) OPRM1OPRK1MTNR1AMTNR1BEED
SCHEMBL1282582 0.84 OPRM1 (0.48) OPRM1OPRK1MTNR1AMTNR1BEED
SCHEMBL9550460 0.84 OPRM1 (0.48) TDP1OPRM1OPRK1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL29878326 0.83 OPRM1 (0.47) OPRM1OPRK1MTNR1AMTNR1BEED
SCHEMBL7250151 0.83 MTNR1A (0.48) OPRM1OPRK1MTNR1AMTNR1BEED
SCHEMBL9911545 0.81 MTNR1A (0.47) OPRM1OPRK1MTNR1AMTNR1BEED
SCHEMBL22836921 0.78 OPRM1 (0.49) OPRM1OPRK1MTNR1AMTNR1BMAPT
SCHEMBL31426029 0.78 MTNR1A (0.47) OPRM1OPRK1MTNR1AMTNR1B
SCHEMBL21437855 0.77 KDM4E (0.41) TDP1AKR1B1MAPTALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 US disclosed
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-6110947-A AN ANALGESIC AGENT FOR TREATING STROKE, ABDOMINAL PAIN; AS ANTIINFLAMMATORY, DIURETIC, ANESTHETIC OR NEUROPROTECTIVE AGENTS PFIZER INC. (US) 2000-08-29 US disclosed
US-6057357-A USEFUL IN TREATING PAIN, INFLAMMATION, PSORIASIS AND IRRITABLE BOWEL SYNDROME WARNER-LAMBERT COMPANY (US) 2000-05-02 US disclosed
US-5952369-A ANALGESIC, TREATMENT FOR STROKE OR ABDOMINAL PAIN ASSOCIATED WITH FUNCTIONAL BOWEL DISEASE PFIZER INC (US) 1999-09-14 US disclosed
WO-1998049158-A1 PERIPHERALLY SELECTIVE KAPPA OPIOID AGONISTS WARNER-LAMBERT COMPANY (US) 1998-11-05 WO disclosed
WO-1998049141-A1 KAPPA OPIOID AGONISTS WARNER-LAMBERT COMPANY (US) 1998-11-05 WO disclosed
EP-0817772-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1998-01-14 EP disclosed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 WO disclosed
EP-0552386-A1 2-Amino-3 or 6-methoxycyclohexyl amide derivatives WARNER-LAMBERT COMPANY (US) 1993-07-28 EP disclosed
US-5051428-A 2-amino-4 or 5-methoxycyclohexyl amides useful as analgesics WARNER-LAMBERT COMPANY (US) 1991-09-24 US disclosed
EP-0372466-A2 2-Amino-4 or 5-methoxycyclohexyl amides useful as analgesics WARNER-LAMBERT COMPANY (US) 1990-06-13 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 (3 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TDP1 466/4885OPRM1 3164/4885OPRK1 1639/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TDP1 466/4885OPRM1 3164/4885OPRK1 1639/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TDP1 466/4885OPRM1 3164/4885OPRK1 1639/4885

“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.