SCHEMBL4410030

SCHEMBL4410030

CCN(CC)c1ccc2c(c1)CN1CCN(C(=O)OC(C)(C)C)CC1CO2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TGFBR1 P36897 1/20 0.38
RIPK1 Q13546 1/20 0.37
KRAS P01116 6/20 0.35
GPR119 Q8TDV5 3/20 0.35
ESR2 Q92731 1/20 0.34
SCD5 Q86SK9 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NR1H2 P55055 1/20 0.34
NAMPT P43490 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL4409669 0.93 TGFBR1 (0.38) LMNATP53MAPTTGFBR1RIPK1
SCHEMBL4407499 0.84 MAPT (0.41) MAPTKRASGPR119ESR2SCD5
SCHEMBL4418602 0.84 RIPK1 (0.46) RIPK1KRASESR2USP30
SCHEMBL4411026 0.84 USP30 (0.40) KRASESR2SCD5HRH3NR1H2
SCHEMBL4409890 0.83 MTNR1A (0.44) LMNATP53RIPK1HRH3MMP13
SCHEMBL4406512 0.81 USP30 (0.49) GPR119USP30
SCHEMBL4407107 0.81 MAPK1 (0.44) KRASGPR119ESR2NAMPTUSP30
SCHEMBL4410911 0.81 GPR119 (0.39) LMNATP53MAPTTGFBR1KRAS
SCHEMBL4408978 0.80 USP30 (0.39) TP53MAPTTGFBR1KRASGPR119
SCHEMBL4406534 0.79 ESR2 (0.40) TP53RIPK1KRASGPR119ESR2

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 LMNA 3757/4885TP53 2722/4885MAPT 3712/4885

“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.