SCHEMBL2468034

SCHEMBL2468034

COCCCNC(=O)C1(c2ccccc2)CCN(C(=O)CCC2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 2/20 0.43
METAP2 P50579 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42
OPRL1 P41146 2/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL10254707 0.92 CHRM5 (0.44) CHRM5CHRM3HTTMETAP2SMN1; SMN2
SCHEMBL13182937 0.91 ALDH1A1 (0.45) ALDH1A1LMNAKDM1AMAOBRAB9A
SCHEMBL2469501 0.87 LMNA (0.48) ALDH1A1LMNACHRM5CHRM3KDM1A
SCHEMBL2465417 0.86 CHRM5 (0.49) ALDH1A1LMNACHRM5CHRM3HTT
SCHEMBL14312483 0.85 ALDH1A1 (0.45) ALDH1A1LMNAKDM1AMAOBSMN1; SMN2
SCHEMBL2465759 0.84 CHRM5 (0.67) ALDH1A1LMNACHRM5CHRM3RAB9A
SCHEMBL2469526 0.83 CHRM5 (0.47) ALDH1A1CHRM5CHRM3HTTSMN1; SMN2
SCHEMBL2467662 0.82 KCNH2 (0.54) ALDH1A1LMNACHRM5CHRM3RAB9A
SCHEMBL2472032 0.82 OPRL1 (0.59) ALDH1A1LMNAKDM1AMAOBRAB9A
SCHEMBL2466987 0.81 BCHE (0.52) ALDH1A1LMNACHRM5CHRM3KDM1A

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 5 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
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 ALDH1A1 3941/4885LMNA 1070/4885CHRM5 676/4885

“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.