SCHEMBL3601996

SCHEMBL3601996

CC(=O)c1cccc(N2CN3C(C(=O)OC(C)(C)C)CNCC3C2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALOX5 P09917 2/20 0.36
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32

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 0.89 ALDH1A1 (0.37) ALOX5ALDH1A1DDB1CRBNKMT2A
SCHEMBL3601055 0.88 GPR119 (0.41) MAPTHSD17B10TSHRALDH1A1KMT2A
SCHEMBL3606120 0.88 POLB (0.37) LMNAALOX5ALDH1A1POLBDDB1
SCHEMBL3606731 0.88 OPRM1 (0.38) ALDH1A1DDB1CRBNKMT2ANR1H2
SCHEMBL3597127 0.88 DDB1 (0.34) DDB1CRBNNR1H2NR1H3GPR119
SCHEMBL3612531 0.88 ATM (0.47) LMNAALOX5ATMALDH1A1POLB
SCHEMBL3601852 0.87 MAPT (0.40) LMNAMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL3609983 0.87 ALDH1A1 (0.36) ALOX5ATMALDH1A1DDB1CRBN
SCHEMBL3604816 0.86 GPR119 (0.36) ALOX5NR1H2NR1H3GPR119
SCHEMBL3607457 0.86 USP30 (0.44) DDB1CRBNNR1H2NR1H3

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 LMNA 3151/4885ALOX5 825/4885MAPT 3961/4885

“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.