SCHEMBL2771071

SCHEMBL2771071

O=C(O)[C@H]1CCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.54
GBA1 P04062 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CD274 Q9NZQ7 3/20 0.46
SPHK1 Q9NYA1 1/20 0.46
AGTR2 P50052 1/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
PDCD1 Q15116 1/20 0.45

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
SCHEMBL2771075 1.00 GRM6 (0.54) GRM6GBA1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2771498 1.00 GRM6 (0.54) GRM6GBA1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2587055 0.90 CYP1A2 (0.60) GRM6SMN1; SMN2CYP1A2CYP2C19NPSR1
SCHEMBL1819248 0.90 CYP1A2 (0.60) GRM6SMN1; SMN2CYP1A2CYP2C19NPSR1
SCHEMBL1972076 0.90 CYP1A2 (0.60) GRM6SMN1; SMN2CYP1A2CYP2C19NPSR1
SCHEMBL8319384 0.89 SIGMAR1 (0.55) SMN1; SMN2MEN1TSHRKMT2ASIGMAR1
Hydrochloric Acid SCHEMBL20790624 0.88 CYP1A2 (0.59) GRM6SMN1; SMN2CYP1A2CYP2C19NPSR1
SCHEMBL3713831 0.88 SMN1; SMN2 (0.63) SMN1; SMN2CYP1A2CYP2C19NPSR1CD274
Hydrochloric Acid SCHEMBL992443 0.88 CYP1A2 (0.59) GRM6SMN1; SMN2CYP1A2CYP2C19NPSR1
SCHEMBL3713829 0.88 SMN1; SMN2 (0.63) SMN1; SMN2CYP1A2CYP2C19NPSR1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057894-B1 Esterase genes and uses of the same SUMITOMO CHEMICAL CO (JP) 2010-04-28 EP disclosed
EP-0974670-B1 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2006-09-13 EP disclosed
EP-1308519-B1 Process for improving optical purity of azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2006-04-19 EP disclosed
US-6828129-B2 Nucleotide sequences coding polypeptide for use as tool in genetic engineering SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-12-07 US disclosed
US-6812008-B2 NUCLEOTIDE SEQUENCES CODING POLYPEPTIDE FOR USE IN THE GENERATION OF S-N-BENZYLAZETIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-02 US disclosed
EP-1308519-A1 Process for improving optical purity of azetidine-2-carboxylic acid Sumitomo Chemical Company, Limited (JP) 2003-05-07 EP disclosed
EP-0855446-B1 Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL CO (JP) 2003-04-09 EP disclosed
US-6537790-B1 Isolated protein of given sequence which can produce N-substituted cyclic imino acids by hydrolization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
US-20020173013-A1 Esterace genes and uses of the same SUMITOMO CHEMICAL COMPANY, LIMITED 2002-11-21 US disclosed
US-20020164727-A1 Nucleotide sequences coding polypeptide for use as tool in genetic engineering SUMITOMO CHEMICAL COMPANY, LIMITED 2002-11-07 US disclosed
US-6410279-B1 GENERATING PREFERENTIAL COMPOUND IN SOLUTION; OBTAIN N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACID ESTER, INCUBATE WITH PREFERENTIAL ENZYME, RECOVER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6162621-A Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-12-19 US disclosed
EP-1057894-A2 Esterase genes and uses of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-06 EP disclosed
US-6143554-A Process for producing optically active n-substituted azetidine-2 carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-07 US disclosed
EP-0974670-A2 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-26 EP disclosed
EP-0855446-A2 Process for producing optically active azetidine-2-carboxylic acid derivative SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-29 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 (2 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-20020164727-A1 Nucleotide sequences coding polypeptide for use as tool in genetic engineering IMPDH2, INHA, IMPDH1 GRM6 3961/4885GBA1 2740/4885SMN1; SMN2 3197/4885
US-20020173013-A1 Esterace genes and uses of the same ACOT7, COASY, IMPA1 GRM6 4074/4885GBA1 1222/4885SMN1; SMN2 4145/4885

“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.