SCHEMBL6554517

SCHEMBL6554517

CCOC(=O)Oc1ccc(C(=N)NC(=O)c2ccccc2)cc1CNC(=O)c1ccc(C(=O)N2CCCC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
PPARG P37231 5/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AVPR2 P30518 1/20 0.36
KMT2A Q03164 1/20 0.36
CCKBR P32239 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.36
PPARD Q03181 2/20 0.35
F10 P00742 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6554900 0.85 CACNA1B (0.41) LMNAKMT2ACCKBRALDH1A1HPGD
SCHEMBL6554470 0.78 SMPD1 (0.43) OPRM1OPRD1LMNAPPARGALDH1A1
SCHEMBL5089056 0.76 HSD11B1 (0.43) LMNAKMT2AALDH1A1HPGDF10
Hydrochloric Acid SCHEMBL6556585 0.75 F10 (0.44) OPRM1OPRD1PPARGPPARDF10
SCHEMBL7560641 0.75 F10 (0.42) LMNAALDH1A1F10KDM4E
SCHEMBL5094227 0.73 MET (0.41) LMNAAVPR2KMT2AHPGDF10
SCHEMBL6555885 0.73 HPGD (0.43) LMNATP53AVPR2KMT2AALDH1A1
SCHEMBL6554618 0.73 ALDH1A1 (0.41) OPRM1OPRD1LMNAKMT2AALDH1A1
SCHEMBL5091336 0.73 F10 (0.41) LMNAKMT2AALDH1A1HPGDF10
Hydrochloric Acid SCHEMBL6555794 0.72 HPGD (0.43) LMNATP53AVPR2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP claimed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US claimed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO claimed
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 OPRM1 216/4885OPRD1 288/4885LMNA 1677/4885

“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.