SCHEMBL5618907

SCHEMBL5618907

CC(C)(C)OC(=O)N[C@@H](c1nccs1)C1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.50
GPR119 Q8TDV5 1/20 0.43
CTSL P07711 1/20 0.42
SYK P43405 1/20 0.42
PPARG P37231 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
ENPP2 Q13822 1/20 0.41
MAPK1 P28482 2/20 0.40
LCK P06239 1/20 0.40
MAPT P10636 1/20 0.40
NTSR1 P30989 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 2/20 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
SCHEMBL3285096 1.00 GRIN2B (0.50) GRIN2BGPR119CTSLSYKPPARG
SCHEMBL13326709 0.87 CNR1 (0.46) GPR119
SCHEMBL5618961 0.85 GRIN2B (0.48) GRIN2BGPR119CTSLSYKPPARG
SCHEMBL5618958 0.85 GRIN2B (0.48) GRIN2BGPR119CTSLSYKPPARG
SCHEMBL3408366 0.82 GRIN2B (0.57) GRIN2BNPC1RAB9ASMN1; SMN2CYP2D6
SCHEMBL30400179 0.81 GPR119 (0.52) GPR119CTSLSYKPPARGL3MBTL1
SCHEMBL17494230 0.81 GPR119 (0.52) GPR119CTSLSYKPPARGL3MBTL1
SCHEMBL8911990 0.81 GPR119 (0.52) GPR119CTSLSYKPPARGL3MBTL1
SCHEMBL19195314 0.81 GPR119 (0.52) GPR119CTSLSYKPPARGL3MBTL1
SCHEMBL5618875 0.81 GPR119 (0.45) GPR119CTSLSYKPPARGL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186843-B2 potent antibacterial activity against various bacteria including drug-resistant strains DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2007-03-06 US disclosed
US-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents DAIICHI PHARMACEUTICAL CO., LTD. 2004-10-21 US disclosed
US-6762181-B1 BROAD ANTIBACTERIAL ACTIVITY INCLUDING DRUG RESISTANT STAPHYLOCOCCUS AUREUS (MRSA), PNEUMOCOCCUS (PRSP) AND ENTEROCOCCUS (VRE); SAFELY USED IN CONJUCTION WITH NONSTEROIDAL ANTIINFLAMMATORY DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-07-13 US disclosed
EP-1182202-B1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI SEIYAKU CO (JP) 2004-06-02 EP disclosed
EP-1182202-A1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 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-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents Q6ZSR9, NAT1, NAT10 GRIN2B 2486/4885GPR119 2551/4885CTSL 945/4885

“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.