SCHEMBL2472016

SCHEMBL2472016

O=C(CC1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1)NCCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
GFER P55789 1/20 0.43
FKBP1A P62942 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM1A O60341 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
USP19 O94966 1/20 0.41
KDM4E B2RXH2 1/20 0.41
C3AR1 Q16581 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2469517 0.95 TAAR1 (0.47) KMT2AALDH1A1SMN1; SMN2MEN1TAAR1
SCHEMBL2467016 0.87 LTA4H (0.43) KMT2AALDH1A1SMN1; SMN2MEN1TAAR1
SCHEMBL14327417 0.86 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2MEN1TAAR1
SCHEMBL2468007 0.85 MCHR1 (0.45) KMT2AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL2473653 0.82 KMT2A (0.47) KMT2AALDH1A1NPC1TDP1MEN1
SCHEMBL2472188 0.82 KMT2A (0.49) KMT2AALDH1A1SMN1; SMN2NPC1TDP1
SCHEMBL2474044 0.82 CNR1 (0.41) KMT2AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL2465687 0.82 HPGD (0.46) KMT2AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL2497408 0.80 CHRM5 (0.51) KMT2ANPC1TDP1MEN1TAAR1
SCHEMBL4038012 0.80 HTR2A (0.45) ALDH1A1NPC1TAAR1KDM4E

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 15 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-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-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 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
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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US 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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 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 KMT2A 957/4885ALDH1A1 3941/4885SMN1; SMN2 4032/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KMT2A 957/4885ALDH1A1 3941/4885SMN1; SMN2 4032/4885

“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.