SCHEMBL2702147

SCHEMBL2702147

NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TP53 P04637 1/20 0.59
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
TACR2 P21452 2/20 0.56
TACR1 P25103 2/20 0.56
HSD11B1 P28845 1/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
SIGMAR1 Q99720 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
CRBN Q96SW2 1/20 0.50
OPRL1 P41146 1/20 0.50
TET3 O43151 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2702014 0.91 CYP2C19 (0.58) ALDH1A1TP53CA12CA1CA2
SCHEMBL2702767 0.87 LMNA (0.64) ALDH1A1LMNAHPGDCHRM2KMT2A
SCHEMBL8365912 0.85 HSD11B1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL7975314 0.83 HSD11B1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL8366154 0.82 OPRL1 (0.56) ALDH1A1HSD11B1LMNAOPRL1TET3
SCHEMBL29735317 0.81 ALDH1A1 (0.62) ALDH1A1TP53CA12CA1CA2
SCHEMBL2722547 0.79 AKR1C1 (0.57) HSD11B1OPRL1KMT2AOPRD1OPRK1
SCHEMBL501923 0.79 AKR1C1 (0.57) HSD11B1OPRL1KMT2AOPRD1OPRK1
SCHEMBL3101764 0.79 MAPK1 (0.62) ALDH1A1TP53CA12CA1CA2
SCHEMBL12227090 0.79 OPRM1 (0.61) HSD11B1CHRM3OPRL1OPRD1OPRK1

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 6 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-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 ALDH1A1 3941/4885TP53 4255/4885CA12 4883/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885TP53 4255/4885CA12 4883/4885

“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.