SCHEMBL1523078

SCHEMBL1523078

CCOC(=O)c1cccnc1NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.59
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.55
NR2F2 P24468 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
S1PR2 O95136 1/20 0.52
XBP1 P17861 1/20 0.52
RAB9A P51151 1/20 0.52
PPP1CA P62136 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
PDE4B Q07343 2/20 0.49
ADORA3 P0DMS8 3/20 0.48
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48

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
SCHEMBL1522962 1.00 OPRK1 (0.59) OPRK1HTTALDH1A1NR2F2NPSR1
SCHEMBL1522385 0.99 OPRK1 (0.57) OPRK1HTTALDH1A1NR2F2NPSR1
SCHEMBL5859584 0.83 HTT (0.54) OPRK1HTTALDH1A1LMNAKDM4E
SCHEMBL17941266 0.80 ALDH1A1 (0.60) OPRK1ALDH1A1RAB9AKDM4E
SCHEMBL496019 0.79 NR2F2 (0.53) OPRK1ALDH1A1NR2F2NPSR1LMNA
SCHEMBL495713 0.79 NR2F2 (0.53) OPRK1ALDH1A1NR2F2NPSR1LMNA
SCHEMBL4611494 0.79 HTT (0.64) OPRK1HTTALDH1A1NPSR1NPC1
SCHEMBL24933235 0.79 NR2F2 (0.56) OPRK1ALDH1A1NR2F2NPSR1LMNA
SCHEMBL30240878 0.79 NR2F2 (0.56) OPRK1ALDH1A1NR2F2NPSR1LMNA
SCHEMBL18049038 0.78 GAA (0.59) HTTALDH1A1NPSR1LMNAMEN1

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-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (5 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB OPRK1 2249/4885HTT 4085/4885ALDH1A1 1434/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB OPRK1 2249/4885HTT 4085/4885ALDH1A1 1434/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 OPRK1 2813/4885HTT 4340/4885ALDH1A1 891/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT OPRK1 3005/4885HTT 3990/4885ALDH1A1 1592/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB OPRK1 2249/4885HTT 4085/4885ALDH1A1 1434/4885

“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.