SCHEMBL3596926

SCHEMBL3596926

CSc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CO)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CCR3 P51677 1/20 0.45
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
USP30 Q70CQ3 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
PARP14 Q460N5 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3609332 0.90 CCR3 (0.45) MAPTCCR3UBE2MDCUN1D1USP30
SCHEMBL3602653 0.88 GPR119 (0.48) MAPTCCR3KMT2AMEN1GPR119
SCHEMBL3592513 0.87 ALDH1A1 (0.47) MAPTCCR3USP30KMT2AMEN1
SCHEMBL3604179 0.87 CCR3 (0.46) MAPTLMNACCR3USP30KMT2A
SCHEMBL3601798 0.87 CCR3 (0.52) MAPTCCR3USP30KMT2AMEN1
SCHEMBL3609998 0.87 PARP14 (0.48) MAPTLMNACCR3USP30KMT2A
SCHEMBL3601902 0.87 ALDH1A1 (0.47) MAPTKDM4ECCR3USP30KMT2A
SCHEMBL3605934 0.86 NAMPT (0.48) MAPTKDM4ECCR3USP30KMT2A
SCHEMBL3608614 0.86 CCR3 (0.59) MAPTLMNACCR3TSHRGAA
SCHEMBL3600238 0.86 USP30 (0.49) MAPTLMNAKDM4ECCR3USP30

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 MAPT 3961/4885LMNA 3151/4885KDM4E 2926/4885

“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.