SCHEMBL3602014

SCHEMBL3602014

CSc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
FAAH O00519 1/20 0.40
USP30 Q70CQ3 2/20 0.39
TACR1 P25103 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
MAPK1 P28482 1/20 0.37
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
EPHX2 P34913 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL3606325 0.87 TAAR1 (0.46) NAMPTUSP30TACR1KDM4EPKM
SCHEMBL3597879 0.87 P2RX7 (0.51) NAMPTFAAHUSP30KDM4EPARP1
SCHEMBL3605934 0.84 NAMPT (0.48) NAMPTUSP30KDM4EPKMABHD6
SCHEMBL3602653 0.83 GPR119 (0.48) NAMPTMAPK1MEN1KMT2AEPHX2
SCHEMBL3606960 0.83 KMT2A (0.58) KDM4EMAPK1MEN1KMT2A
SCHEMBL3596926 0.82 MAPT (0.51) USP30KDM4EMEN1KMT2AEPHX2
SCHEMBL3599783 0.78 MEN1 (0.47) NAMPTUSP30MAPK1MEN1KMT2A
SCHEMBL3592513 0.78 ALDH1A1 (0.47) FAAHUSP30MEN1KMT2AGPR119
SCHEMBL3607841 0.78 NPC1 (0.46) NAMPTFAAHMEN1KMT2AEPHX2
SCHEMBL3609998 0.77 PARP14 (0.48) USP30MEN1KMT2AEPHX2

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 NAMPT 2319/4885FAAH 856/4885USP30 4815/4885

“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.