SCHEMBL2159267

SCHEMBL2159267

CC(C)(C)OC(=O)NCC(=O)OC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
EPHX1 P07099 2/20 0.45
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.40
CACNA1B Q00975 4/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA14 Q9ULX7 1/20 0.39
EPHX2 P34913 1/20 0.39
GFER P55789 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
BTK Q06187 1/20 0.37

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
SCHEMBL6007931 0.94 KMT2A (0.45) KMT2AMEN1ALDH1A1TSHREPHX1
SCHEMBL12335551 0.93 EPHX1 (0.50) KMT2AMEN1ALDH1A1TSHREPHX1
SCHEMBL5283279 0.92 EPHX1 (0.52) KMT2AMEN1ALDH1A1TSHREPHX1
SCHEMBL27890002 0.83 EPHX1 (0.43) KMT2AMEN1ALDH1A1TSHREPHX1
SCHEMBL5246848 0.80 NAMPT (0.47) CACNA1BEPHX2
SCHEMBL13519660 0.80 MEN1 (0.40) KMT2AMEN1ALDH1A1TSHREPHX1
SCHEMBL125503 0.78 TDP1 (0.52) KMT2AMEN1ALDH1A1TSHREPHX1
SCHEMBL22859599 0.78 EPHX1 (0.56) KMT2AMEN1ALDH1A1EPHX1TDP1
SCHEMBL28747565 0.77 KMT2A (0.55) KMT2AMEN1ALDH1A1TSHREPHX1
SCHEMBL27604510 0.77 BTK (0.47) KMT2AEPHX1MAOBGAACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471774-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
CN-102212062-B Derivative of amino ester, salt thereof and using method GUANGDONG HEC PHARMACEUTICAL 2015-04-29 CN disclosed
CN-103282352-A Benzamides and nicotinamides as syk modulators PORTOLA PHARM INC 2013-09-04 CN disclosed
CN-103003281-A Pyrrolo [2, 3 - b] pyrazine - 7 - carboxamide derivatives and their use as jak and syk inhibitors HOFFMANN LA ROCHE 2013-03-27 CN disclosed
EP-2471774-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 EP disclosed
CN-102212062-A Derivative of amino ester, salt thereof and using method DONGGUAN CHANGAN EAST SUNSHINE DRUG R & D CO LTD 2011-10-12 CN disclosed
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 US disclosed
CN-102046618-A Hydroxyquinoxalinecarboxamide derivative DAIICHI SANKYO CO LTD 2011-05-04 CN disclosed
CN-101600691-A Acyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2009-12-09 CN disclosed
US-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7601844-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
EP-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO 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 (3 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-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 KMT2A 4066/4885MEN1 4727/4885ALDH1A1 263/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 KMT2A 4066/4885MEN1 4727/4885ALDH1A1 263/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 KMT2A 4066/4885MEN1 4727/4885ALDH1A1 263/4885

“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.