SCHEMBL4368977

SCHEMBL4368977

Clc1ccc(Oc2ccc3c(c2)CC(c2ccccc2)C3)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.42
OPRM1 P35372 7/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 4/20 0.39
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
FAAH O00519 4/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL4362064 0.91 ADRB1 (0.41) LIPEOPRM1ADRB1ADRB3OPRD1
SCHEMBL4361810 0.85 KDM4E (0.48) OPRM1OPRD1OPRK1FAAHPIM1
SCHEMBL4360427 0.84 ESR1 (0.41) LIPE
SCHEMBL4363001 0.80 HSPB1 (0.51) OPRM1HTTL3MBTL1PPARGKDM4E
SCHEMBL4366500 0.78 MAPT (0.48) OPRM1HTTKDM4EPOLBHRH3
SCHEMBL4368192 0.76 KDM4E (0.44) OPRM1OPRD1OPRK1FAAHKDM4E
SCHEMBL4562042 0.76 SLC8A1 (0.51) LIPE
SCHEMBL4360457 0.75 SLC8A1 (0.58)
SCHEMBL4362356 0.75 SLC8A1 (0.51)
SCHEMBL4358805 0.74 CYP19A1 (0.42) LIPEOPRM1ADRB1ADRB3OPRD1

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
US-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO 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-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU LIPE 3400/4885OPRM1 3030/4885ADRB1 541/4885

“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.