SCHEMBL2925749

SCHEMBL2925749

O=C(O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.63
OPRL1 P41146 11/20 0.60
OPRD1 P41143 4/20 0.58
CHRM4 P08173 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
OPRK1 P41145 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
ABCB11 O95342 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL1760977 0.88 OPRL1 (0.62) OPRM1OPRL1OPRD1CHRM4MEN1
SCHEMBL5368096 0.85 S1PR2 (0.49) OPRM1OPRL1OPRD1CHRM4MEN1
SCHEMBL14282343 0.85 POLB (0.61) OPRM1OPRL1OPRD1MEN1KMT2A
SCHEMBL5726893 0.85 AKR1C3 (0.54) OPRM1OPRL1OPRD1CHRM4MEN1
SCHEMBL2931546 0.85 OPRM1 (0.47) OPRM1OPRL1OPRD1CHRM4MEN1
SCHEMBL3133824 0.84 OPRM1 (0.56) OPRM1OPRL1OPRD1CHRM4MEN1
SCHEMBL3139132 0.84 OPRL1 (0.61) OPRM1OPRL1OPRD1CHRM4MEN1
SCHEMBL14282310 0.83 S1PR2 (0.60) OPRM1OPRL1CHRM4MEN1KMT2A
SCHEMBL3594500 0.83 OPRM1 (0.48) OPRM1OPRL1OPRD1CHRM4MEN1
SCHEMBL23577913 0.82 OPRL1 (0.53) OPRM1OPRL1OPRD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP claimed
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN claimed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 CN claimed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP claimed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO claimed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US claimed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US claimed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP claimed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN disclosed
EP-2262792-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 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 (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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 OPRM1 3770/4885OPRL1 3885/4885OPRD1 3666/4885
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R OPRM1 3240/4885OPRL1 2021/4885OPRD1 3164/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 OPRM1 52/4885OPRL1 24/4885OPRD1 47/4885

“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.