SCHEMBL2702014

SCHEMBL2702014

NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccncc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 9/20 0.58
CYP2C9 P11712 8/20 0.58
CYP2D6 P10635 8/20 0.56
TSHR P16473 4/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 1/20 0.55
CYP3A4 P08684 10/20 0.54
CYP1A2 P05177 6/20 0.54
USP2 O75604 5/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.52
HIF1A Q16665 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL2702147 0.91 ALDH1A1 (0.59) ALDH1A1LMNACA12CA1CA2
SCHEMBL2702767 0.87 LMNA (0.64) CYP2C19CYP2C9ALDH1A1LMNACYP3A4
SCHEMBL8365912 0.81 HSD11B1 (0.58) TSHRALDH1A1LMNACA12CA1
SCHEMBL2702017 0.80 CYP2C19 (0.56) CYP2C19CYP2C9CYP2D6TSHRALDH1A1
SCHEMBL7975314 0.78 HSD11B1 (0.55) CYP2C19CYP2C9CYP2D6ALDH1A1CYP3A4
SCHEMBL12919946 0.77 CYP3A4 (0.51) CYP2C19CYP2C9CYP2D6TSHRALDH1A1
SCHEMBL8366154 0.77 OPRL1 (0.56) TSHRALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3406327 0.76 CYP3A4 (0.58) CYP2C19CYP2C9CYP2D6TSHRALDH1A1
SCHEMBL12893541 0.76 CYP3A4 (0.55) CYP2C19CYP2C9CYP2D6TSHRALDH1A1
SCHEMBL23647599 0.75 ALDH1A1 (0.52) CYP2C19CYP2C9CYP2D6ALDH1A1LMNA

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 CYP2C19 3045/4885CYP2C9 2232/4885CYP2D6 1945/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CYP2C19 3045/4885CYP2C9 2232/4885CYP2D6 1945/4885

“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.