SCHEMBL497967

SCHEMBL497967

C[CH]C1(c2ccccc2)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
DPP4 P27487 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL22361961 0.98 OPRM1 (0.45) OPRM1OPRK1OPRL1SLC6A4SLC6A2
SCHEMBL7447072 0.95 OPRL1 (0.46) OPRM1OPRK1OPRL1DPP4AKR1C1
SCHEMBL498413 0.91 OPRL1 (0.50) OPRM1OPRK1OPRL1
SCHEMBL7018027 0.81 OPRM1 (0.55) OPRM1OPRK1OPRL1SLC6A4
SCHEMBL22361952 0.78 SLC6A3 (0.46) OPRK1SLC6A4SLC6A2SLC6A3
SCHEMBL1152247 0.77 AKR1C1 (0.47) DPP4AKR1C1SLC6A4SLC6A2SLC6A3
SCHEMBL28452851 0.77 DPP4 (0.42) DPP4AKR1C1SLC6A4SLC6A2SLC6A3
SCHEMBL22419460 0.77 DPP4 (0.38) OPRM1OPRK1OPRL1DPP4AKR1C1
SCHEMBL20876275 0.77 SLC6A3 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL27871106 0.77 SLC6A3 (0.47) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 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 (2 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT OPRM1 4624/4885OPRK1 4110/4885OPRL1 4834/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI OPRM1 4298/4885OPRK1 2748/4885OPRL1 4679/4885

“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.