SCHEMBL2474017

SCHEMBL2474017

CCN(C(=O)CC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TACR1 P25103 13/20 0.47
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC6A4 P31645 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
SCHEMBL2473561 0.89 OPRD1 (0.47) HPGDHTTTACR1MEN1KMT2A
SCHEMBL4044328 0.88 OPRD1 (0.46) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL2465816 0.88 HPGD (0.47) HPGDHTTTACR1ALOX15MEN1
SCHEMBL2493320 0.84 OPRD1 (0.45) TACR1MEN1KMT2ACYP2C19
SCHEMBL2703388 0.83 OPRD1 (0.43) MEN1KMT2ACYP2C19
SCHEMBL2702492 0.82 OPRD1 (0.46) TACR1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL2468009 0.81 OPRD1 (0.42) TACR1MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL2472148 0.79 TACR1 (0.50) TACR1CYP3A4CYP2C19
SCHEMBL2474015 0.78 TACR1 (0.49) TACR1
SCHEMBL2468598 0.77 OPRD1 (0.46) HTTTACR1MEN1KMT2ACYP2C19

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-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-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 HPGD 1527/4885HTT 1125/4885TACR1 3354/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 HPGD 1527/4885HTT 1125/4885TACR1 3354/4885

“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.