SCHEMBL2472052

SCHEMBL2472052

O=C(NC(Cc1ccccc1)C1(c2ccccc2)CCNCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.46
CTSL P07711 5/20 0.45
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 2/20 0.45
ACE2 Q9BYF1 1/20 0.43
PIN1 Q13526 1/20 0.41
HDAC1 Q13547 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACE P12821 1/20 0.40
HPGD P15428 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
SCHEMBL2470270 0.79 ALDH1A1 (0.47) HPGD
SCHEMBL2468205 0.79 ITGA4 (0.42)
SCHEMBL6978469 0.79 OPRM1 (0.42)
SCHEMBL5374718 0.78 RAB9A (0.41) CTRB1CTSLCTSSCTSKCTSB
SCHEMBL5571593 0.78 FPR2 (0.43)
SCHEMBL2470590 0.78 PSMB5 (0.52) HDAC1NPC1RAB9AHPGD
SCHEMBL2471550 0.75 MEN1 (0.43) HPGD
SCHEMBL3418217 0.74 CTRB1 (0.41) CTRB1CTSLCTSSCTSKCTSB
SCHEMBL2465742 0.74 PSMB5 (0.43) NPC1RAB9AHPGD
SCHEMBL4517498 0.74 ATM (0.47) CTSLCTSSCTSKCTSBACE

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP 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
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO 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 (3 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 CTRB1 4657/4885CTSL 4350/4885CTSS 4248/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CTRB1 4657/4885CTSL 4350/4885CTSS 4248/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 CTRB1 3994/4885CTSL 4392/4885CTSS 4438/4885

“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.