SCHEMBL2702148

SCHEMBL2702148

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
DPP4 P27487 1/20 0.53
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
TP53 P04637 1/20 0.51
CCR5 P51681 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
CRBN Q96SW2 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
SCHEMBL2702017 0.92 CYP2C19 (0.56) MAOAMAOBTAAR1ALDH1A1LMNA
SCHEMBL2702768 0.87 ALDH1A1 (0.62) CHRM2ALDH1A1LMNAHPGD
SCHEMBL23002585 0.86 MAOA (0.61) MAOAMAOBTAAR1DPP4
SCHEMBL3523461 0.82 CCR5 (0.51) CHRM2CHRM3ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL3595461 0.82 MAOA (0.56) MAOAMAOBTAAR1DPP4ALDH1A1
SCHEMBL21976719 0.80 PKLR (0.53) CHRM2CHRM3ALDH1A1LMNAHPGD
SCHEMBL1971597 0.80 CHRM2 (0.54) CHRM2CHRM3ALDH1A1LMNAHPGD
SCHEMBL31417144 0.79 MAOA (0.53) MAOAMAOBTAAR1DPP4OPRD1
SCHEMBL6998425 0.78 EPHX2 (0.53) CHRM2CHRM3ALDH1A1LMNACCR5
SCHEMBL2702147 0.77 ALDH1A1 (0.59) CHRM2CHRM3ALDH1A1LMNAHPGD

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 MAOA 2507/4885MAOB 2828/4885TAAR1 2450/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 MAOA 2507/4885MAOB 2828/4885TAAR1 2450/4885

“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.