SCHEMBL3500666

SCHEMBL3500666

Cc1c(CO)ccc2c1N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
ESR2 Q92731 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H2 P55055 1/20 0.37
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.36
AVPR2 P30518 2/20 0.36
KDM1A O60341 4/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRM4 P08173 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR119 Q8TDV5 2/20 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
SCHEMBL3500072 0.84 MEN1 (0.40) MPOBRD4KDM1AL3MBTL1
SCHEMBL3502308 0.82 HDAC1 (0.38) MPOESR2NPC1RAB9AKDM4E
SCHEMBL3503719 0.81 ESR2 (0.38) MPOESR2NPC1RAB9ANR1H2
SCHEMBL4503093 0.76 PTGER4 (0.42) ESR2NR1H2CHRM4DRD2HTR7
SCHEMBL7659457 0.74 NR1H2 (0.51) ESR2NPC1RAB9ANR1H2KDM4E
SCHEMBL6108617 0.74 P2RX1 (0.50) MPOESR2NPC1RAB9ABRD4
SCHEMBL16593635 0.74 NOTUM (0.41) MPOESR2NPC1RAB9ANR1H2
SCHEMBL15503181 0.74 ESR2 (0.49) ESR2NPC1RAB9ANR1H2CHRM4
SCHEMBL30918981 0.73 MPO (0.41) MPOESR2NPC1RAB9ANR1H2
SCHEMBL12489154 0.73 ESR2 (0.54) ESR2NR1H2KDM4E

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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 MPO 4675/4885ESR2 791/4885NPC1 1572/4885

“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.