SCHEMBL7367963

SCHEMBL7367963

CC(C)(C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPK1 P28482 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
NR1H2 P55055 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7275829 1.00 ADRA1D (0.41) ADRA1DADRA1AADRA1BUSP2SMN1; SMN2
SCHEMBL8402001 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BSMN1; SMN2ALDH1A1
SCHEMBL8402002 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BSMN1; SMN2ALDH1A1
SCHEMBL8402249 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BSMN1; SMN2ALDH1A1
SCHEMBL27567585 0.83 USP2 (0.45) USP2SMN1; SMN2EPHX1MAPK1PTPN2
SCHEMBL24940 0.82 USP2 (0.41) USP2SMN1; SMN2EPHX1MAPK1PTPN2
SCHEMBL1350453 0.82 USP2 (0.41) USP2SMN1; SMN2EPHX1MAPK1PTPN2
SCHEMBL881661 0.82 USP2 (0.41) USP2SMN1; SMN2EPHX1MAPK1PTPN2
SCHEMBL13907982 0.82 ADRA1D (0.40) ADRA1DADRA1AADRA1BSMN1; SMN2KMT2A
SCHEMBL2392691 0.82 USP2 (0.44) USP2SMN1; SMN2EPHX1MAPK1PTPN2

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
US-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS VALDEZ JOHNNY 2009-03-12 US disclosed
US-20010008892-A1 Retroviral protease inhibiting compounds CHEN XIAOQI (US) 2001-07-19 US disclosed
US-6251906-B1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES 2001-06-26 US disclosed
EP-0756593-B1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 2000-09-20 EP disclosed
US-5886181-A ASYMMETRIC HYDROGENATION OF THE CORRESPONDING 1,4,5,6-TETRAHYDROPYRAZINES LONZA, LTD. (CH) 1999-03-23 US disclosed
US-5856485-A RESOLUTION OF AN ENANTIOMORPH MIXTURE LONZA AG (CH) 1999-01-05 US disclosed
US-5792869-A REACTING PIPERAZINE DERIVATIVE WITH SULFONAMIDE DERIVATIVE OF OPTICALLY ACTIVE AMINO ACID, PRECIPITATING LESS SOLUBLE SALT, SEPARATING, DECOMPOSING TO DESIRED DIASTEREOMER YAMAKAWA CHEMICAL INDUSTRY CO., LTD (JP) 1998-08-11 US disclosed
EP-0710652-B1 Process for preparing optically active piperazine derivatives and intermediates for preparation YAMAKAWA CHEMICAL IND (JP) 1998-03-04 EP disclosed
US-5650412-A VIRICIDES, IMMUNOMODULATORS, ANTIBIOTICS OR VACCINES MERCK & CO., INC. (US) 1997-07-22 US disclosed
US-5612339-A BACTERICIDES OR ANTISEPTICS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-03-18 US disclosed
EP-0756593-A1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1997-02-05 EP disclosed
WO-1996022097-A1 NOVEL 2-HYDROXY-3-AMINOPROPYLSULFONAMIDES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-07-25 WO disclosed
US-5519060-A ENZYME INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-05-21 US disclosed
EP-0710652-A2 Process for preparing optically active piperazine derivatives and intermediates for preparation YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-05-08 EP disclosed
WO-1995029169-A2 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1995-11-02 WO disclosed
WO-1994018192-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 1994-08-18 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 (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-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS CD4, MPI, ME1 ADRA1D 3855/4885ADRA1A 2882/4885ADRA1B 3222/4885
US-20010008892-A1 Retroviral protease inhibiting compounds PREP, DNPEP, SERPINB1 ADRA1D 4828/4885ADRA1A 4838/4885ADRA1B 4803/4885

“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.