SCHEMBL3955485

SCHEMBL3955485

CC(NC(=O)OC(C)(C)C)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 1/20 0.38
BTK Q06187 1/20 0.38
KMT2A Q03164 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.37
EPHX1 P07099 1/20 0.36
CCR8 P51685 1/20 0.36
CTSK P43235 4/20 0.36
CTSS P25774 2/20 0.36
CA12 O43570 2/20 0.35
MMP2 P08253 2/20 0.35
CA9 Q16790 2/20 0.35
CYP2D6 P10635 1/20 0.35
CTSL P07711 2/20 0.34

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
SCHEMBL4511728 0.91 CA1 (0.40) CA1CA2CA7KMT2AHDAC4
SCHEMBL4509851 0.91 CA1 (0.40) CA1CA2CA7KMT2AHDAC4
SCHEMBL2002713 0.91 CA1 (0.40) CA1CA2CA7KMT2AHDAC4
SCHEMBL4511453 0.91 CA1 (0.40) CA1CA2CA7KMT2AHDAC4
SCHEMBL3188755 0.91 CA1 (0.40) CA1CA2CA7KMT2AHDAC4
SCHEMBL7506420 0.91 CA1 (0.40) CA1CA2CA7KMT2AHDAC4
SCHEMBL4514488 0.91 CA1 (0.40) CA1CA2CA7KMT2AHDAC4
SCHEMBL3188762 0.91 CA1 (0.40) CA1CA2CA7KMT2AHDAC4
SCHEMBL4024512 0.91 CA1 (0.40) CA1CA2CA7KMT2AHDAC4
SCHEMBL2001628 0.85 CA1 (0.44) CA1CA2CA7KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503452-B2 Antimicrobial compounds and methods CURZA GLOBAL, LLC (US) 2025-12-23 US disclosed
US-20250170130-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2025-05-29 US disclosed
WO-2023164611-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
CN-101578275-A Anilinopiperazine derivatives and methods of use thereof SCHERING CORP (US) 2009-11-11 CN disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-2078003-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-07-15 EP disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 WO disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 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 (6 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 CPN1 515/4885CPB2 2807/4885CA1 4525/4885
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 CPN1 1664/4885CPB2 4667/4885CA1 4724/4885
US-20250170130-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 CPN1 3692/4885CPB2 3787/4885CA1 4872/4885
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 CPN1 1832/4885CPB2 3073/4885CA1 2956/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS CPN1 1705/4885CPB2 4687/4885CA1 4728/4885
US-12503452-B2 Antimicrobial compounds and methods MPO, NISCH, RPN2 CPN1 515/4885CPB2 2807/4885CA1 4525/4885

“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.