SCHEMBL3601055

SCHEMBL3601055

Cc1cccc(N2CN3C(C(=O)OC(C)(C)C)CNCC3C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.41
MAPT P10636 4/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KHK P50053 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL3605596 0.91 ALDH1A1 (0.37) ALDH1A1KMT2A
SCHEMBL3606120 0.90 POLB (0.37) ALDH1A1
SCHEMBL3597127 0.90 DDB1 (0.34) GPR119NR1H2NR1H3
SCHEMBL3606731 0.90 OPRM1 (0.38) GPR119ALDH1A1SMN1; SMN2KMT2ANR1H2
SCHEMBL3601852 0.89 MAPT (0.40) MAPTHSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3609983 0.89 ALDH1A1 (0.36) ALDH1A1KMT2ANR1H2NR1H3
SCHEMBL3604816 0.88 GPR119 (0.36) GPR119KDM4EPKMNR1H2NR1H3
SCHEMBL3601996 0.88 LMNA (0.40) GPR119MAPTHSD17B10ALDH1A1TSHR
SCHEMBL3607457 0.88 USP30 (0.44) NR1H2NR1H3
SCHEMBL3609567 0.88 DDB1 (0.33) GPR119NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A GPR119 268/4885MAPT 3961/4885HSD17B10 1707/4885

“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.