SCHEMBL1761014

SCHEMBL1761014

O=C(Cl)N1CCC2(CC1)C(=O)NCN2c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.64
OPRM1 P35372 8/20 0.64
OPRK1 P41145 7/20 0.64
OPRD1 P41143 5/20 0.64
HSD17B10 Q99714 1/20 0.62
SLC18A3 Q16572 1/20 0.59
SLC6A9 P48067 1/20 0.58
HTR2C P28335 1/20 0.58
DRD3 P35462 1/20 0.58
AVPR1A P37288 1/20 0.58

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
SCHEMBL318707 0.89 HSD17B10 (0.65) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL21634299 0.86 HSD17B10 (0.62) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL21634315 0.85 HSD17B10 (0.60) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL5329597 0.84 OPRM1 (0.62) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL13853705 0.83 OPRK1 (0.58) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL14543210 0.83 HSD17B10 (0.60) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL21688404 0.82 OPRK1 (0.57) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL5459394 0.82 OPRM1 (0.57) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL318858 0.80 CCR5 (0.75) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL4981531 0.80 SLC6A9 (0.57) OPRL1OPRM1OPRK1OPRD1HSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US disclosed
US-6919349-B2 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES, INC. (JP) 2005-07-19 US disclosed
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES INC. (JP) 2004-05-06 US disclosed
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1329451-A1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-23 EP disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM OPRL1 2032/4885OPRM1 766/4885OPRK1 2621/4885
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient VCAM1, ICAM1, SELL OPRL1 738/4885OPRM1 2044/4885OPRK1 1419/4885
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R OPRL1 2021/4885OPRM1 3240/4885OPRK1 2729/4885

“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.