SCHEMBL3006710

SCHEMBL3006710

COC(Cc1c(C2(O)CCN(Cc3ccccc3)CC2)cnn1C)OC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ CCR3 P51677 1/20 0.44
▸ KCNH2 Q12809 1/20 0.42
▸ CCR8 P51685 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3007375 0.88 KCNH2 (0.52) OPRL1POLBCCR3KCNH2
SCHEMBL3018645 0.76 OPRL1 (0.49) OPRL1POLBCCR3
SCHEMBL3015736 0.74 OPRL1 (0.49) OPRL1POLBCCR3CCR8
SCHEMBL3026822 0.73 OPRL1 (0.47) OPRL1POLBCCR3CCR8
SCHEMBL8107817 0.73 OPRL1 (0.47) OPRL1POLBCCR3CCR8
SCHEMBL25355733 0.72 OPRL1 (0.57) OPRL1POLBCCR3CCR8ALDH1A1
SCHEMBL31283053 0.72 OPRL1 (0.46) OPRL1POLBCCR3CCR8ALDH1A1
SCHEMBL2970071 0.70 CHRM4 (0.64) OPRL1POLBCCR3CCR8ALDH1A1
SCHEMBL31028218 0.70 CHRM4 (0.64) OPRL1POLBCCR3CCR8ALDH1A1
SCHEMBL6911078 0.69 OPRL1 (0.71) OPRL1POLBCCR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144915-B1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES ESTEVE LABOR DR (ES) 2014-03-19 — — EP disclosed
EP-2144915-B1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES ESTEVE LABOR DR (ES) 2014-03-19 — — EP disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US disclosed
US-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL. DR. ESTEVE, S.A. (ES) 2010-08-05 — — US disclosed
WO-2008125349-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-23 — — WO disclosed
EP-1982987-A1 Spiro-pyrano-pyrazole derivatives Laboratorios del Dr. Esteve S.A. (ES) 2008-10-22 — — EP disclosed
EP-1982987-A1 Spiro-pyrano-pyrazole derivatives Laboratorios del Dr. Esteve S.A. (ES) 2008-10-22 — — 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 (1 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-20100197714-A1 SPIRO-PYRANO-PYRAZOLE DERIVATIVES SIGMAR1, TMEM97, OPRD1 OPRL1 43/4885POLB 1743/4885CCR3 2999/4885

“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.

Send feedback