SCHEMBL891954

SCHEMBL891954

COC(=O)CC(C)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BCHE P06276 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 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
SCHEMBL8996609 1.00 SIGMAR1 (0.56) SIGMAR1MAPTL3MBTL1GAAATM
SCHEMBL8996599 1.00 SIGMAR1 (0.56) SIGMAR1MAPTL3MBTL1GAAATM
SCHEMBL536970 0.86 PPID (0.55) SIGMAR1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8936169 0.86 PPID (0.55) SIGMAR1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4855884 0.85 SMN1; SMN2 (0.44) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL4408805 0.85 MEN1 (0.48) SIGMAR1MAPTL3MBTL1ATMMEN1
SCHEMBL5394620 0.84 SIGMAR1 (0.50) SIGMAR1MAPTATMMEN1KMT2A
SCHEMBL2852187 0.84 SIGMAR1 (0.61) SIGMAR1MAPTGAAMEN1KMT2A
SCHEMBL4849306 0.84 SIGMAR1 (0.61) SIGMAR1MAPTGAAMEN1KMT2A
SCHEMBL4855673 0.84 SIGMAR1 (0.61) SIGMAR1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349650-A Method for synthesizing fenoterol intermediate by adopting microfluid technology 大连万福制药有限公司 2022-04-15 CN claimed
EP-4573089-A2 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2025-06-25 EP disclosed
US-20240199584-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-06-20 US disclosed
EP-3630116-B1 TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2024-05-01 EP disclosed
WO-2024040109-A2 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-22 WO disclosed
CN-114349650-B Method for synthesizing fenoterol intermediate by adopting microfluid technology 大连万福制药有限公司 2023-03-10 CN disclosed
US-20220411422-A1 ERBB RECEPTOR INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2022-12-29 US disclosed
CN-114349650-A Method for synthesizing fenoterol intermediate by adopting microfluid technology 大连万福制药有限公司 2022-04-15 CN disclosed
US-11225482-B2 Dihydropyrrolopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2022-01-18 US disclosed
US-11225482-B2 Dihydropyrrolopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2022-01-18 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
WO-2005028419-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-03-31 WO disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP disclosed
US-20040210064-A1 Production method of beta-amino acid AJINOMOTO CO., INC. (JP) 2004-10-21 US disclosed
WO-2004009559-A2 DIHYDROURACIL COMPOUNDS AS ANTI-ICTOGENIC OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-01-29 WO disclosed
EP-0690862-B1 QUINOLONE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RES INST CHEM TECH (KR) 2002-07-10 EP disclosed
US-5770597-A ANTIBIOTIC KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-06-23 US disclosed
EP-0690862-A1 NOVEL QUINOLONE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-01-10 EP disclosed
WO-1994015938-A1 NOVEL QUINOLONE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-07-21 WO disclosed
US-4835175-A Indole derivatives pharmaceutical preparations based thereon, and β-receptor stimulation therewith SCHERING AKTIENGESELLSCHAFT (DE) 1989-05-30 US 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 (5 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-20040210064-A1 Production method of beta-amino acid BCAT2, BCAT1, AADAT SIGMAR1 2171/4885MAPT 840/4885L3MBTL1 1615/4885
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 SIGMAR1 1339/4885MAPT 4153/4885L3MBTL1 4360/4885
US-20220411422-A1 ERBB RECEPTOR INHIBITORS ERBB2, EGFR, ERBB3 SIGMAR1 2893/4885MAPT 1541/4885L3MBTL1 4621/4885
US-20240199584-A1 KRAS INHIBITORS KRAS, NRAS, HRAS SIGMAR1 4517/4885MAPT 3872/4885L3MBTL1 1105/4885
US-11225482-B2 Dihydropyrrolopyrimidines for the treatment and prophylaxis of hepatitis B virus infection DPYD, HAVCR2, QDPR SIGMAR1 1639/4885MAPT 4012/4885L3MBTL1 2817/4885

“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.