SCHEMBL4366274

SCHEMBL4366274

Oc1ccc2c(c1)C(O)CCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.53
DRD3 P35462 4/20 0.44
DRD2 P14416 3/20 0.44
CYP3A4 P08684 3/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2D6 P10635 3/20 0.42
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
DYRK1A Q13627 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
OPRM1 P35372 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
DRD4 P21917 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8350459 0.89 MAP3K14 (0.42) MAP3K14DRD3DRD2CYP3A4MAOA
SCHEMBL1111009 0.85 MAP3K14 (0.67) MAP3K14CYP3A4MAOAMAOBCA2
SCHEMBL14183091 0.85 MAP3K14 (0.67) MAP3K14CYP3A4MAOAMAOBCA2
SCHEMBL3171013 0.80 MAP3K14 (0.51) MAP3K14CYP2D6HTR1ASLC6A4
SCHEMBL24675182 0.80 DRD3 (0.43) MAP3K14DRD3DRD2CYP3A4MAOA
SCHEMBL24997240 0.80 MAP3K14 (0.75) MAP3K14DRD3DRD2MAOAMAOB
SCHEMBL24393413 0.80 MAP3K14 (0.75) MAP3K14DRD3DRD2MAOAMAOB
SCHEMBL22143742 0.80 MAP3K14 (0.51) MAP3K14DRD3DRD2CYP2D6HTR1A
SCHEMBL3169066 0.80 DRD3 (0.43) MAP3K14DRD3DRD2CYP3A4MAOA
SCHEMBL8251432 0.80 MAP3K14 (0.51) MAP3K14CYP2D6HTR1ASLC6A4ALDH1A1

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 MAP3K14 1300/4885DRD3 3370/4885DRD2 3442/4885

“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.