SCHEMBL2702017

SCHEMBL2702017

NCC1(c2ccccc2)CCN(C(=O)c2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 8/20 0.56
CYP2C9 P11712 8/20 0.56
CYP3A4 P08684 11/20 0.56
CYP2D6 P10635 9/20 0.56
TSHR P16473 5/20 0.56
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.54
CYP1A2 P05177 6/20 0.53
USP2 O75604 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.51
HIF1A Q16665 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
OPRD1 P41143 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
SCHEMBL2702148 0.92 MAOA (0.56) ALDH1A1LMNAHPGDMAOAMAOB
SCHEMBL2702768 0.87 ALDH1A1 (0.62) CYP2C19CYP2C9CYP3A4ALDH1A1LMNA
SCHEMBL23002585 0.81 MAOA (0.61) MEN1KMT2AMAOAMAOBTAAR1
SCHEMBL2702014 0.80 CYP2C19 (0.58) CYP2C19CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL13183077 0.78 CYP2D6 (0.45) CYP2C19CYP2C9CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL3595461 0.77 MAOA (0.56) CYP2C19CYP2C9CYP3A4CYP2D6ALDH1A1
SCHEMBL2495626 0.77 CYP2D6 (0.47) CYP2C19CYP2C9CYP3A4CYP2D6TSHR
SCHEMBL21976719 0.76 PKLR (0.53) ALDH1A1LMNAMAPK1HPGDOPRD1
SCHEMBL16915680 0.76 ALDH1A1 (0.51) CYP2C19CYP2C9CYP3A4CYP2D6ALDH1A1
SCHEMBL31417144 0.75 MAOA (0.53) CYP2C19CYP2C9CYP3A4TSHRMAOA

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 2232/4885CYP3A4 1607/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CYP2C19 3045/4885CYP2C9 2232/4885CYP3A4 1607/4885

“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.