SCHEMBL1789182

SCHEMBL1789182

Cc1cc(OCCN(C(=O)O)C(C)(C)C)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
STAT3 P40763 1/20 0.43
PDIA6 Q15084 1/20 0.40
HBB P68871 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL16444719 0.77 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1POLBL3MBTL1
SCHEMBL1621421 0.76 KMT2A (0.45) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL18281771 0.75 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1POLBLMNA
SCHEMBL20787870 0.75 ALDH1A1 (0.47) RAB9ASMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL1785567 0.74 SUCNR1 (0.47)
SCHEMBL17728285 0.74 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1POLBKMT2A
SCHEMBL3337965 0.73 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL16780791 0.73 L3MBTL1 (0.49) NPC1KDM4EALDH1A1TDP1POLB
SCHEMBL25405576 0.73 PDIA6 (0.51) NPC1RAB9ASMN1; SMN2KDM4ETDP1
SCHEMBL2022963 0.73 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 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 (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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 NPC1 3467/4885RAB9A 1186/4885SMN1; SMN2 1774/4885

“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.