SCHEMBL2469907

SCHEMBL2469907

c1ccc(C2(CNc3nccc4ccccc34)CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TACR1 P25103 6/20 0.40
HTR2C P28335 1/20 0.40
USP30 Q70CQ3 1/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
OPRM1 P35372 1/20 0.36
ACHE P22303 1/20 0.36
FDPS P14324 1/20 0.36
DRD2 P14416 2/20 0.34
ADRA1A P35348 2/20 0.34
DRD3 P35462 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
UTS2R Q9UKP6 1/20 0.34

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
SCHEMBL2861663 0.91 KDM4E (0.49) KDM4EUSP30SLC6A4KCNH2FDPS
SCHEMBL2867705 0.87 KDM4E (0.56) KDM4EUSP30SLC6A4
SCHEMBL13066448 0.84 KCNA3 (0.44) KDM4EUSP30SLC6A4KCNH2FDPS
SCHEMBL14491593 0.83 SLC6A4 (0.44) KDM4EUSP30SLC6A4ACHEFDPS
SCHEMBL14491679 0.83 USP30 (0.42) KDM4ETACR1USP30SLC6A4KCNH2
SCHEMBL13066976 0.83 SLC6A4 (0.44) KDM4EUSP30SLC6A4ACHEFDPS
SCHEMBL13067017 0.82 KDM4E (0.41) KDM4EUSP30SLC6A4KCNH2FDPS
SCHEMBL2471609 0.81 KDM4E (0.43) KDM4EUSP30KCNH2ACHEDRD2
SCHEMBL10254911 0.80 DRD2 (0.51) KDM4EUSP30KCNH2OPRM1ACHE
SCHEMBL2467172 0.76 SLC6A9 (0.41) KDM4EUSP30DRD2ADRA1ADRD3

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-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KDM4E 485/4885TACR1 3354/4885HTR2C 3194/4885

“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.