SCHEMBL4418602

SCHEMBL4418602

CC(C)(C)OC(=O)N1CCN2Cc3cc(Cl)ccc3OCC2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
ESR2 Q92731 1/20 0.39
STS P08842 3/20 0.39
KRAS P01116 5/20 0.38
CNR1 P21554 1/20 0.38
USP30 Q70CQ3 1/20 0.38
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37

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
SCHEMBL4411026 0.88 USP30 (0.40) FNTAFNTBESR2KRASUSP30
SCHEMBL4409890 0.87 MTNR1A (0.44) RIPK1STS
SCHEMBL4407499 0.86 MAPT (0.41) ESR2STSKRAS
SCHEMBL4406512 0.85 USP30 (0.49) USP30
SCHEMBL4407107 0.85 MAPK1 (0.44) ESR2KRASUSP30
SCHEMBL23512794 0.84 KRAS (0.39) MEN1KMT2AESR2KRASUSP30
SCHEMBL29693098 0.84 KRAS (0.39) MEN1KMT2AESR2KRASUSP30
SCHEMBL4418597 0.84 RIPK1 (0.44) RIPK1KRAS
SCHEMBL4410030 0.84 LMNA (0.39) RIPK1ESR2KRASUSP30
SCHEMBL4406534 0.82 ESR2 (0.40) RIPK1KMT2AESR2KRASUSP30

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 RIPK1 2672/4885MEN1 1646/4885KMT2A 783/4885

“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.