SCHEMBL2700943

SCHEMBL2700943

CN(C)CC(=O)N1CCC(Cc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
TACR1 P25103 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP2D6 P10635 2/20 0.42
AGTR2 P50052 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2702369 0.84 L3MBTL1 (0.54) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL2700969 0.82 CYP2D6 (0.58) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL2700222 0.82 CYP2D6 (0.63) MEN1KMT2AALDH1A1OPRD1OPRK1
SCHEMBL2699795 0.82 ALDH1A1 (0.50) KDM4EMEN1KMT2AALDH1A1CYP2D6
SCHEMBL14386052 0.82 CYP2D6 (0.41) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL3485621 0.82 AVPR1A (0.44) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL2702754 0.82 NPC1 (0.63) MEN1KMT2AALDH1A1NPC1L3MBTL1
SCHEMBL2703912 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL14902472 0.80 KDM4E (0.45) KDM4EOPRM1OPRL1TACR1MEN1
SCHEMBL2467982 0.79 MEN1 (0.42) KDM4ETACR1MEN1KMT2AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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 (2 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 KDM4E 485/4885OPRM1 2850/4885OPRL1 1904/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KDM4E 485/4885OPRM1 2850/4885OPRL1 1904/4885

“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.