SCHEMBL3601852

SCHEMBL3601852

COc1cccc(N2CN3C(C(=O)OC(C)(C)C)CNCC3C2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 5/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 1/20 0.37
KMT2A Q03164 1/20 0.37
FADS1 O60427 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3595736 0.90 FKBP1A (0.36) MAPTTP53ALDH1A1
SCHEMBL3605596 0.90 ALDH1A1 (0.37) L3MBTL1KMT2AALDH1A1
SCHEMBL3597127 0.89 DDB1 (0.34)
SCHEMBL3606120 0.89 POLB (0.37) TP53LMNAALDH1A1
SCHEMBL3606731 0.89 OPRM1 (0.38) L3MBTL1SMN1; SMN2KMT2AALDH1A1
SCHEMBL3601055 0.89 GPR119 (0.41) MAPTHSD17B10SMN1; SMN2KMT2AALDH1A1
SCHEMBL3609983 0.88 ALDH1A1 (0.36) L3MBTL1ROCK2KMT2AALDH1A1
SCHEMBL3604816 0.87 GPR119 (0.36)
SCHEMBL3607457 0.87 USP30 (0.44)
SCHEMBL3601996 0.87 LMNA (0.40) MAPTHSD17B10LMNAKMT2AALDH1A1

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 3961/4885NPSR1 33/4885TP53 3547/4885

“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.