SCHEMBL498844

SCHEMBL498844

[CH2]CCC1(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
DPP4 P27487 2/20 0.47
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
OPRK1 P41145 1/20 0.37
ICMT O60725 1/20 0.36
TACR1 P25103 2/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL497847 0.91 DPP4 (0.59) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL497605 0.81 MAOA (0.60) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL5031526 0.81 MAOA (0.41) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL1124803 0.77 MAOA (0.56) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL29374849 0.77 MAOA (0.68) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL6021772 0.77 MAOA (0.56) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL7447078 0.73 DPP4 (0.57) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL497930 0.73 DPP4 (0.63) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL13573944 0.72 MAOA (0.50) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL8484287 0.72 MAOA (0.50) MAOAMAOBTAAR1DPP4OPRM1

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 4 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US 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 (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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT MAOA 1609/4885MAOB 1110/4885TAAR1 4570/4885

“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.