SCHEMBL2700969

SCHEMBL2700969

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.58
OPRM1 P35372 1/20 0.54
OPRL1 P41146 1/20 0.54
USP2 O75604 2/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP2C19 P33261 3/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
HIF1A Q16665 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46

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
SCHEMBL3485621 0.87 AVPR1A (0.44) CYP2D6OPRM1OPRL1USP2ALDH1A1
SCHEMBL2702369 0.83 L3MBTL1 (0.54) USP2ALDH1A1MEN1KMT2AHPGD
SCHEMBL2702729 0.83 CHRM2 (0.59) CYP2D6ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL2700943 0.82 KDM4E (0.48) CYP2D6OPRM1OPRL1ALDH1A1MEN1
SCHEMBL14386052 0.81 CYP2D6 (0.41) CYP2D6OPRM1OPRL1ALDH1A1MEN1
SCHEMBL2700222 0.81 CYP2D6 (0.63) CYP2D6USP2ALDH1A1CYP2C19MAPK1
SCHEMBL2699795 0.81 ALDH1A1 (0.50) CYP2D6ALDH1A1CYP2C19MEN1KMT2A
SCHEMBL2703034 0.81 KMT2A (0.42) CYP2D6OPRM1OPRL1ALDH1A1MEN1
SCHEMBL2703032 0.81 KMT2A (0.42) CYP2D6OPRM1OPRL1ALDH1A1MEN1
SCHEMBL923461 0.81 MAOA (0.48) ALDH1A1LMNA

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 CYP2D6 1945/4885OPRM1 2850/4885OPRL1 1904/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CYP2D6 1945/4885OPRM1 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.