SCHEMBL2770710

SCHEMBL2770710

COC(=O)C1CCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AGTR2 P50052 1/20 0.44
SLC6A3 Q01959 6/20 0.44
SLC6A2 P23975 2/20 0.44
CYP2C9 P11712 2/20 0.44
SLC6A4 P31645 1/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL25983199 0.91 TSHR (0.50) KMT2AALDH1A1LMNAMEN1CYP3A4
SCHEMBL2772366 0.87 TSHR (0.44) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL2773433 0.87 TSHR (0.44) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL7060888 0.87 TSHR (0.44) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL7064464 0.87 TSHR (0.44) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL2772125 0.87 TSHR (0.44) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL5785042 0.85 CACNA1A (0.57) KMT2AALDH1A1MEN1TSHRSLC6A3
SCHEMBL2770397 0.83 OPRM1 (0.44) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL6236413 0.83 OPRM1 (0.44) KMT2AALDH1A1LMNAMEN1OPRM1
SCHEMBL6234263 0.83 OPRM1 (0.44) KMT2AALDH1A1LMNAMEN1OPRM1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747950-B Pyrimidine derivatives for the treatment of cancer 深圳福沃药业有限公司 2024-01-23 CN disclosed
EP-1057894-B1 Esterase genes and uses of the same SUMITOMO CHEMICAL CO (JP) 2010-04-28 EP disclosed
EP-1316610-B1 Preparation comprising an enzyme for asymmetrical hydrolysis of N-substituted C3-C4 cyclic imino-2-carboxylic acid ester and method of using the same SUMITOMO CHEMICAL CO (JP) 2006-05-03 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-6936445-B2 Enzyme preparation and method of using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-30 US disclosed
EP-1201653-B1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL CO (JP) 2005-04-20 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-0957089-B1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP disclosed
US-20030124683-A1 Enzyme preparation and method of using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-03 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
EP-1201653-A1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-02 EP disclosed
US-6166224-A Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-26 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
EP-0957089-A1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-17 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
US-4200628-A ANTIBIOTICS, BACTERICIDES SHIONOGI & CO., LTD. (JP) 1980-04-29 US disclosed
EP-0001643-A2 Aminoglycoside derivatives, process for their manufacture, pharmaceutical compositions and carboxylic acids SHIONOGI & CO., LTD. (JP) 1979-05-02 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-20020164727-A1 Nucleotide sequences coding polypeptide for use as tool in genetic engineering IMPDH2, INHA, IMPDH1 KMT2A 4052/4885ALDH1A1 2545/4885LMNA 2285/4885

“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.