SCHEMBL6929112

SCHEMBL6929112

COc1ccc(CN2CC[C@]3(CCC[C@H](C(C)=O)C3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALOX15 P16050 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL6929126 1.00 GAA (0.43) GAAKDM4EMMP1MMP13ALDH1A1
SCHEMBL1650724 0.92 KDM4E (0.45) GAAKDM4EMMP1MMP13ALDH1A1
SCHEMBL1651799 0.92 KDM4E (0.45) GAAKDM4EMMP1MMP13ALDH1A1
SCHEMBL15491821 0.91 KDM4E (0.44) GAAKDM4EMMP1MMP13ALDH1A1
SCHEMBL15491709 0.88 ALDH1A1 (0.48) GAAKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL1650939 0.88 ALDH1A1 (0.48) GAAKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL1650377 0.88 ALDH1A1 (0.48) GAAKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL1650376 0.88 ALDH1A1 (0.48) GAAKDM4EALDH1A1L3MBTL1NPC1
SCHEMBL1650547 0.84 GAA (0.45) GAAMMP1MMP13LMNASIGMAR1
SCHEMBL1650545 0.84 GAA (0.45) GAAMMP1MMP13LMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359297-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2016-06-07 US disclosed
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-07-10 US disclosed
US-8633190-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2014-01-21 US disclosed
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 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 (2 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-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D GAA 3919/4885KDM4E 3581/4885MMP1 2355/4885
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D GAA 3919/4885KDM4E 3581/4885MMP1 2355/4885

“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.