SCHEMBL5969172

SCHEMBL5969172

CC(C)(C)OC(N)=O.CCc1cccc(C(c2ccccc2)N2CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ OPRD1 P41143 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SLC6A9 P48067 3/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL5968906 0.80 MEN1 (0.48) KMT2AMEN1OPRD1ATMHDAC1
Ethylbenzene SCHEMBL27571280 0.75 TP53 (0.50) KMT2AATMALDH1A1
SCHEMBL27518729 0.75 KMT2A (0.42) KMT2AMEN1OPRD1SLC6A9CACNA2D1
SCHEMBL5968967 0.73 OPRM1 (0.47) KMT2AMEN1OPRD1ATMOPRM1
SCHEMBL5968956 0.73 OPRM1 (0.50) KMT2AMEN1OPRD1ATMOPRM1
SCHEMBL27831500 0.72 SLC7A5 (0.43) KMT2AMEN1POLB
SCHEMBL9078988 0.72 OPRD1 (0.40) KMT2AMEN1OPRD1ATMOPRM1
SCHEMBL28384158 0.71 ATM (0.48) KMT2AMEN1OPRD1ATMOPRM1
SCHEMBL7863730 0.71 OPRM1 (0.44) KMT2AMEN1OPRD1ATMOPRM1
SCHEMBL4013471 0.68 KMT2A (0.67) KMT2AMEN1ALDH1A1CACNA2D1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984627-B1 Peptide derivatives ASTRAZENECA AB (SE) 2006-01-10 — — US disclosed
US-20050222395-A1 New peptide derivatives ASTRAZENECA AB (SE) 2005-10-06 — — US disclosed
EP-0701568-B1 NEW PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-25 — — EP disclosed
EP-1067136-A1 New peptide derivatives AstraZeneca AB (SE) 2001-01-10 — — EP disclosed
US-5939392-A THROMBIN INHIBITORS, ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS ASTRA AKTIEBOLAG (SE) 1999-08-17 — — US disclosed
US-5856307-A Peptide derivatives as kininogenase inhibitors ASTRA AKTIEBOLAG (SE) 1999-01-05 — — US disclosed
US-5783563-A Method for treatment or prophylaxis of venous thrombosis ASTRA AKTIEBOLAG 1998-07-21 — — US disclosed
US-5780631-A ANTICOAGLUANT ASTRA AKTIEBOLAG (SE) 1998-07-14 — — US disclosed
US-5723444-A ENZYME INHIBITORS AND ANTICOAGULANTS ASTRA AB (SE) 1998-03-03 — — US disclosed
US-5602253-A STARTING MATERIAL FOR SERINE PROTEASE INHIBITORS AKTIEBOLAGET ASTRA (SE) 1997-02-11 — — US disclosed
EP-0701568-A1 NEW PEPTIDE DERIVATIVES Astra Aktiebolag (SE) 1996-03-20 — — EP disclosed
WO-1994029336-A1 NEW PEPTIDE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1994-12-22 — — 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-20050222395-A1 New peptide derivatives SERPINE1, SERPINC1, SPINT2 KMT2A 4410/4885MEN1 1137/4885OPRD1 2831/4885

“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.

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