SCHEMBL2877688

SCHEMBL2877688

OCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.77
POLB P06746 2/20 0.61
OPRM1 P35372 1/20 0.60
OPRD1 P41143 1/20 0.60
OPRK1 P41145 1/20 0.60
CCR3 P51677 1/20 0.57
SIGMAR1 Q99720 8/20 0.50
CYP3A4 P08684 3/20 0.50
TP53 P04637 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C9 P11712 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
NFKB1 P19838 1/20 0.48

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
SCHEMBL2328504 0.95 OPRL1 (0.70) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL2360601 0.95 OPRL1 (0.70) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL350525 0.92 OPRL1 (0.65) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL2323985 0.89 OPRL1 (0.73) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL11195174 0.88 OPRL1 (0.77) OPRL1POLBOPRM1CCR3SIGMAR1
Hydrochloric Acid SCHEMBL11193622 0.87 OPRL1 (0.75) OPRL1POLBOPRM1CCR3SIGMAR1
SCHEMBL6913288 0.86 OPRL1 (0.70) OPRL1POLBOPRM1OPRD1OPRK1
SCHEMBL6911078 0.84 OPRL1 (0.71) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL12023243 0.84 OPRL1 (0.56) OPRL1POLBSIGMAR1CYP3A4TP53
SCHEMBL2514218 0.84 OPRL1 (0.56) OPRL1POLBOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed
EP-2104677-B1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-12-07 EP disclosed
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
EP-2104677-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
EP-1531816-B1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2009-01-21 EP disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 US disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 US disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2006-08-03 US disclosed
EP-1531816-A4 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2005-12-28 EP disclosed
CN-1668300-A Spirocyclic piperidines as MCH1 antagonists and uses thereof LUNDBECK & CO AS H (DK) 2005-09-14 CN disclosed
EP-1531816-A1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. Lundbeck A/S (DK) 2005-05-25 EP disclosed
WO-2004004714-A1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 WO disclosed
US-3985889-A 1,3-DIHYDROSPIRO(ISOBENZOFURAN); ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-10-12 US disclosed
US-3962259-A TRANQUILIZERS, ANALGETIC AGENTS AMERICAN HOECHST CORPORATION (US) 1976-06-08 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 (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-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 OPRL1 131/4885POLB 4470/4885OPRM1 286/4885
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, CRHR1 OPRL1 12/4885POLB 4835/4885OPRM1 86/4885
US-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 OPRL1 1/4885POLB 3327/4885OPRM1 13/4885

“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.