SCHEMBL167043

SCHEMBL167043

COC(=O)C[C@H](N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
KCNA5 P22460 3/20 0.50
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL1144412 1.00 ALDH1A1 (0.51) ALDH1A1KCNA5KMT2ATSHRCYP3A4
SCHEMBL476790 1.00 ALDH1A1 (0.51) ALDH1A1KCNA5KMT2ATSHRCYP3A4
Hydrochloric Acid SCHEMBL6373800 0.98 ALDH1A1 (0.50) ALDH1A1KCNA5KMT2ATSHRCYP3A4
Hydrochloric Acid SCHEMBL2203097 0.98 ALDH1A1 (0.50) ALDH1A1KCNA5KMT2ATSHRCYP3A4
Hydrochloric Acid SCHEMBL476789 0.98 ALDH1A1 (0.50) ALDH1A1KCNA5KMT2ATSHRCYP3A4
SCHEMBL4591411 0.93 KCNA5 (0.49) ALDH1A1KCNA5KMT2ATSHRCYP3A4
SCHEMBL1144253 0.93 KCNA5 (0.49) ALDH1A1KCNA5KMT2ATSHRCYP3A4
Tartaric Acid SCHEMBL29904324 0.92 ALDH1A1 (0.46) ALDH1A1KCNA5KMT2ATSHRCYP3A4
SCHEMBL2299744 0.90 PTGS2 (0.46) ALDH1A1KCNA5KMT2ACYP3A4
SCHEMBL27575989 0.88 KMT2A (0.44) ALDH1A1KCNA5KMT2ATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025064788-A2 CCR5 CONJUGATES AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2025-03-27 WO disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
CN-117642396-A Alpha V beta 6 and alpha V beta 1 integrin inhibitors and uses thereof 戴斯分子SV有限公司 2024-03-01 CN disclosed
EP-4304716-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF Dice Molecules Sv, Inc. (US) 2024-01-17 EP disclosed
WO-2022192545-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2022-09-15 WO disclosed
US-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-12-29 US disclosed
EP-3521274-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-08-07 EP disclosed
US-20190233456-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-08-01 US disclosed
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 US disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 EP disclosed
WO-2003091212-A1 CINNAMIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-11-06 WO disclosed
WO-2003080574-A1 PIPERIDINE OR 8-AZA-BICYCLO[3.2.1]OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-10-02 WO disclosed
CN-1437599-A Tropane derivatives for use in therapy PFIZER LTD (US) 2003-08-20 CN disclosed
CN-1331691-A Piperidines as CCR5 modulators PFIZER LTD (US) 2002-01-16 CN disclosed
CN-1331591-A Piperidines as CCR5 modulators PFIZER LTD (US) 2002-01-16 CN disclosed
CN-1069316-C Substituted 5-ring heterocycles, their preparation and their use HOECHST AG (DE) 2001-08-08 CN disclosed
EP-1013276-A1 Aminoazacycloalkanes as CCR5 modulators PFIZER INC. (US) 2000-06-28 EP disclosed
CN-1134696-A Substituted 5-membered heterocycles, process for their preparation and their use CASSELLA FARBWERKE MAINKUR AG (DE) 1996-10-30 CN 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 (4 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV ALDH1A1 858/4885KCNA5 587/4885KMT2A 3333/4885
US-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof PRMT3, GRIN3A, RAMP3 ALDH1A1 3474/4885KCNA5 3103/4885KMT2A 1662/4885
US-20190233456-A1 METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF PRMT3, GRIN3A, RAMP3 ALDH1A1 3474/4885KCNA5 3103/4885KMT2A 1662/4885
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 ALDH1A1 3596/4885KCNA5 2689/4885KMT2A 3025/4885

“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.