SCHEMBL3305829

SCHEMBL3305829

CC1(C)Oc2ccc(C#N)cc2[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1O

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.88
ABCB1 P08183 6/20 0.59
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL7479202 1.00 ABCC9 (0.88) ABCC9ABCB1KDM4E
SCHEMBL7479207 1.00 ABCC9 (0.88) ABCC9ABCB1KDM4E
SCHEMBL3304163 1.00 ABCC9 (0.88) ABCC9ABCB1KDM4E
SCHEMBL7481849 1.00 ABCC9 (0.88) ABCC9ABCB1KDM4E
SCHEMBL8341342 0.93 ABCC9 (1.00) ABCC9ABCB1KDM4E
SCHEMBL8341353 0.93 ABCC9 (1.00) ABCC9ABCB1KDM4E
SCHEMBL8341346 0.93 ABCC9 (1.00) ABCC9ABCB1KDM4E
SCHEMBL10504985 0.90 ABCC9 (0.89) ABCC9ABCB1KDM4E
SCHEMBL10504977 0.90 ABCC9 (0.89) ABCC9ABCB1KDM4E
SCHEMBL10504992 0.90 ABCC9 (0.89) ABCC9ABCB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099752-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC. (GB) 2010-04-22 US claimed
US-20070088064-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC 2007-04-19 US claimed
US-20030236410-A1 Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEECHAM P.L.C. 2003-12-25 US claimed
US-20020123630-A1 Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEECHAM P.L.C. 2002-09-05 US claimed
US-20010021780-A1 Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEECHAM P.L.C. 2001-09-13 US claimed
EP-0673374-B1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-03-01 EP claimed
WO-1994013657-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-06-23 WO claimed
US-20100099752-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC. (GB) 2010-04-22 US disclosed
US-20070088064-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC 2007-04-19 US disclosed
US-20030236410-A1 Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEECHAM P.L.C. 2003-12-25 US disclosed
US-20020123630-A1 Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEECHAM P.L.C. 2002-09-05 US disclosed
US-20010021780-A1 Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEECHAM P.L.C. 2001-09-13 US disclosed
EP-0673374-B1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-03-01 EP disclosed
US-5948811-A Pharmaceutical composition containing bicyclic type compounds SMITHKLINE BEEGHAM P.L.C. (GB) 1999-09-07 US disclosed
EP-0673374-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-09-27 EP disclosed
WO-1994013657-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-06-23 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 (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-20030236410-A1 Pharmaceutical composition containing bicyclic type compounds CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 ABCC9 162/4885ABCB1 132/4885KDM4E 3793/4885
US-20070088064-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CFH, CBR3 ABCC9 155/4885ABCB1 104/4885KDM4E 4277/4885
US-20010021780-A1 Pharmaceutical composition containing bicyclic type compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CLIC1, NAF1 ABCC9 122/4885ABCB1 126/4885KDM4E 4139/4885
US-20100099752-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SNCA, GRIN2C, PYGB ABCC9 1314/4885ABCB1 595/4885KDM4E 4382/4885
US-20020123630-A1 Pharmaceutical composition containing bicyclic type compounds CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CFH ABCC9 111/4885ABCB1 136/4885KDM4E 3976/4885

“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.