SCHEMBL5756417

SCHEMBL5756417

CC(C)(C)OC(=O)NC(CBr)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
SCN9A Q15858 1/20 0.47
HTR2A P28223 3/20 0.46
HTR2B P41595 3/20 0.46
HTR2C P28335 2/20 0.46
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
CTSB P07858 2/20 0.45
PIN1 Q13526 1/20 0.45
ADRA2C P18825 2/20 0.44
SLC6A4 P31645 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
USP2 O75604 2/20 0.44
CYP3A4 P08684 2/20 0.44
NR1I2 O75469 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL2548016 0.89 ATM (0.51) ATMSCN9AHTR2AHTR2BHTR2C
SCHEMBL2548015 0.89 ATM (0.51) ATMSCN9AHTR2AHTR2BHTR2C
SCHEMBL4901923 0.89 ATM (0.51) ATMSCN9AHTR2AHTR2BHTR2C
SCHEMBL28895324 0.87 PIN1 (0.60) ATMSCN9AHTR2AHTR2BHTR2C
SCHEMBL5757257 0.85 ATM (0.51) ATMCTSSCTSKCTSBCTSL
SCHEMBL6008671 0.83 CTSL (0.60) ATMSCN9ACTSSCTSKCTSB
SCHEMBL8330079 0.82 ATM (0.70) ATMCTSSCTSKCTSBCYP3A4
SCHEMBL5755877 0.82 ATM (0.70) ATMCTSSCTSKCTSBCYP3A4
SCHEMBL3556619 0.82 ACE (0.61) SCN9ACTSSCTSKCTSBCTSL
SCHEMBL1519920 0.82 ACE (0.61) SCN9ACTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US disclosed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
US-20030105079-A1 Novel phenylalkyl diamine and amide analogs SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-06-05 US disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 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 (1 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-20030105079-A1 Novel phenylalkyl diamine and amide analogs SIGMAR1, TAAR1, OPRL1 ATM 3190/4885SCN9A 642/4885HTR2A 58/4885

“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.