SCHEMBL6974007

SCHEMBL6974007

CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.51
P2RX3 P56373 1/20 0.46
ABCB1 P08183 1/20 0.45
FKBP1A P62942 2/20 0.43
BCL2 P10415 1/20 0.43

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
SCHEMBL23491959 1.00 MCL1 (0.51) MCL1P2RX3ABCB1FKBP1ABCL2
SCHEMBL12742659 1.00 MCL1 (0.51) MCL1P2RX3ABCB1FKBP1ABCL2
SCHEMBL1448652 1.00 MCL1 (0.51) MCL1P2RX3ABCB1FKBP1ABCL2
SCHEMBL23491353 0.93 MCL1 (0.54) MCL1P2RX3BCL2
SCHEMBL15888149 0.92 MCL1 (0.49) MCL1P2RX3ABCB1BCL2
SCHEMBL5963763 0.90 MCL1 (0.54) MCL1BCL2
SCHEMBL1448111 0.89 ABCB1 (0.54) MCL1ABCB1FKBP1A
SCHEMBL7703700 0.89 ABCB1 (0.54) MCL1ABCB1FKBP1A
SCHEMBL21273903 0.89 ABCB1 (0.54) MCL1ABCB1FKBP1A
SCHEMBL7279798 0.89 ABCB1 (0.54) MCL1ABCB1FKBP1A

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-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL MCL1 1537/4885P2RX3 3307/4885ABCB1 3174/4885

“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.