SCHEMBL5658196

SCHEMBL5658196

CC[C@H](C)[C@@H](C=O)N(C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
AOC3 Q16853 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
ATM Q13315 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
SCHEMBL28340175 1.00 ADRA2B (0.49) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5267410 0.85 SIGMAR1 (0.40) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL9470012 0.85 ADRA2B (0.53) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL21103313 0.84 TAAR1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL21444778 0.78 ADRA2B (0.56) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL28078110 0.78 ADRA2B (0.56) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL7781713 0.75 LMNA (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5564818 0.75 LMNA (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5564821 0.75 LMNA (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL18522814 0.75 LMNA (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918656-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2024-03-05 US disclosed
US-11661457-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2023-05-30 US disclosed
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2023-01-05 US disclosed
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2023-01-05 US disclosed
EP-3607996-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2023-01-04 EP disclosed
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-12-06 US disclosed
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-12-06 US disclosed
EP-3388427-B1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PF MEDICAMENT (FR) 2022-01-19 EP disclosed
EP-3388427-B1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PF MEDICAMENT (FR) 2022-01-19 EP disclosed
US-11219693-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-01-11 US disclosed
WO-2014174064-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
WO-2014174064-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
WO-2014174062-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
WO-2014174062-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
WO-2014174060-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
WO-2014174060-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 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 (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-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 ADRA2B 3135/4885ADRA2C 3561/4885SLC6A2 2965/4885
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR ADRA2B 289/4885ADRA2C 605/4885SLC6A2 3503/4885
US-11219693-B2 Antibody-drug-conjugate and its use for the treatment of cancer DAD1, DDOST, KRTCAP2 ADRA2B 2401/4885ADRA2C 2878/4885SLC6A2 2326/4885
US-11918656-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 ADRA2B 3135/4885ADRA2C 3561/4885SLC6A2 2965/4885
US-11661457-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer IGF1R, IGFBP1, IGFBP5 ADRA2B 2435/4885ADRA2C 2790/4885SLC6A2 3588/4885
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters ALDH7A1, BCAT1, BCAT2 ADRA2B 420/4885ADRA2C 515/4885SLC6A2 1670/4885

“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.