SCHEMBL4406534

SCHEMBL4406534

Cc1ccc2c(c1)OCC1CN(C(=O)OC(C)(C)C)CCN1C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
NR1H2 P55055 1/20 0.39
KRAS P01116 3/20 0.38
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 2/20 0.36
RIPK1 Q13546 1/20 0.36
TP53 P04637 1/20 0.36
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SCD5 Q86SK9 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
SCHEMBL4412331 0.86 USP30 (0.51) GPR119USP30SCD5
SCHEMBL4407107 0.86 MAPK1 (0.44) ESR2GPR119KRASUSP30
SCHEMBL4409669 0.84 TGFBR1 (0.38) ESR2GPR119NR1H2KRASKMT2A
SCHEMBL4418602 0.82 RIPK1 (0.46) ESR2KRASKMT2AUSP30RIPK1
SCHEMBL4411026 0.82 USP30 (0.40) ESR2NR1H2KRASUSP30SCD5
SCHEMBL4409890 0.82 MTNR1A (0.44) RIPK1TP53EPHX2
SCHEMBL24558218 0.81 KRAS (0.40) ESR2GPR119NR1H2KRASUSP30
SCHEMBL23512794 0.81 KRAS (0.39) ESR2KRASKMT2AUSP30
SCHEMBL24558105 0.81 KRAS (0.40) ESR2KRASUSP30
SCHEMBL29693203 0.81 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 ESR2 1292/4885GPR119 234/4885NR1H2 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.