SCHEMBL3492773

SCHEMBL3492773

CC1C(=O)c2ccccc2OC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.43
IDO1 P14902 1/20 0.41
BACE1 P56817 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
USP30 Q70CQ3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
SCD5 Q86SK9 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL3492775 1.00 GPR119 (0.43) GPR119IDO1BACE1TSHRALOX15
SCHEMBL2590439 0.88 GPR119 (0.42) GPR119IDO1BACE1TSHRALOX15
SCHEMBL2596043 0.87 GPR119 (0.41) GPR119IDO1BACE1TSHRALOX15
SCHEMBL2591066 0.85 TSHR (0.44) GPR119IDO1BACE1TSHRALOX15
SCHEMBL2592704 0.84 GPR119 (0.41) GPR119IDO1BACE1TSHRALOX15
SCHEMBL16496704 0.83 STS (0.44) GPR119IDO1USP30
SCHEMBL2592446 0.81 GPR119 (0.38) GPR119IDO1BACE1TSHRALOX15
SCHEMBL10258300 0.81 ATM (0.43) GPR119ATMSMARCA2SMARCA4PBRM1
SCHEMBL21397530 0.80 HDAC3 (0.45) GPR119IDO1BACE1TSHRALOX15
SCHEMBL3702583 0.79 ATM (0.56) GPR119ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B GPR119 25/4885IDO1 3079/4885BACE1 1519/4885

“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.