SCHEMBL10316166

SCHEMBL10316166

CCc1c(C(=O)NN2CCOCC2)n(C)c2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.48
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MTOR P42345 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL10316144 0.91 SMO (0.49) SMOALDH1A1
SCHEMBL10004581 0.82 SMO (0.49) SMOLMNAALDH1A1
SCHEMBL10316157 0.81 SMO (0.50) SMOLMNAKDM4EALDH1A1GAA
SCHEMBL12826288 0.80 SMO (0.51) SMOALDH1A1
SCHEMBL10316145 0.80 SMO (0.47) SMOLMNAALDH1A1
SCHEMBL10316161 0.80 POLB (0.51) SMOLMNAL3MBTL1KDM4EALDH1A1
SCHEMBL11976393 0.80 SMO (0.60) SMOKDM4EALDH1A1
SCHEMBL10316154 0.80 SMO (0.60) SMOKDM4EALDH1A1
SCHEMBL11976394 0.80 SMO (0.48) SMOALDH1A1
SCHEMBL10316151 0.80 SMO (0.52) SMO

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
US-8927718-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-06 — — US disclosed
US-8927718-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-06 — — US disclosed
US-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-16 — — US disclosed
US-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-16 — — US disclosed
EP-2471791-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed
WO-2011024873-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2011-03-03 — — 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-20120208794-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH SMO 1/4885LMNA 4452/4885L3MBTL1 2806/4885

“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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