SCHEMBL4409669

SCHEMBL4409669

CCN(CC)c1ccc2c(c1)OCC1CN(C(=O)OC(C)(C)C)CCN1C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
ESR2 Q92731 1/20 0.36
NR1H2 P55055 2/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KRAS P01116 8/20 0.35
NAMPT P43490 1/20 0.34
RIPK1 Q13546 1/20 0.34
USP30 Q70CQ3 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4410030 0.93 LMNA (0.39) TGFBR1ESR2NR1H2LMNATP53
SCHEMBL4406534 0.84 ESR2 (0.40) ESR2NR1H2TP53KRASRIPK1
SCHEMBL4408978 0.81 USP30 (0.39) TGFBR1TP53MAPTKRASUSP30
SCHEMBL4412331 0.81 USP30 (0.51) USP30GPR119
SCHEMBL4407107 0.81 MAPK1 (0.44) ESR2KRASNAMPTUSP30GPR119
SCHEMBL3277128 0.80 RIPK1 (0.47) TGFBR1ESR2NR1H2RIPK1USP30
SCHEMBL4410911 0.79 GPR119 (0.39) TGFBR1LMNATP53MAPTKRAS
SCHEMBL24558105 0.78 KRAS (0.40) ESR2KRASUSP30
SCHEMBL24558408 0.78 KRAS (0.40) ESR2NR1H2KRASUSP30GPR119
SCHEMBL29693203 0.78 KRAS (0.40) ESR2KRASUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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 (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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A TGFBR1 2355/4885ESR2 1292/4885NR1H2 2084/4885

“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.