SCHEMBL542153

SCHEMBL542153

CC1(C(=O)O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
P2RX4 Q99571 2/20 0.46
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL1834783 1.00 HTR2C (0.49) HTR2CALDH1A1KMT2AMEN1NPSR1
SCHEMBL542152 1.00 HTR2C (0.49) HTR2CALDH1A1KMT2AMEN1NPSR1
SCHEMBL25230617 0.88 HTR2C (0.44) HTR2CALDH1A1KMT2AMEN1NPSR1
SCHEMBL25272477 0.88 HTR2C (0.44) HTR2CALDH1A1KMT2AMEN1NPSR1
SCHEMBL29053828 0.87 NPC1 (0.46) HTR2CALDH1A1KMT2AMEN1NPSR1
SCHEMBL1150315 0.86 HTR2C (0.43) HTR2CALDH1A1KMT2AMEN1NPSR1
SCHEMBL23825226 0.86 HTR2C (0.43) HTR2CALDH1A1KMT2AMEN1NPSR1
SCHEMBL10797345 0.86 ALDH1A1 (0.53) HTR2CALDH1A1KMT2AMEN1NPSR1
SCHEMBL7245273 0.85 MEN1 (0.49) HTR2CALDH1A1KMT2AMEN1NPSR1
SCHEMBL630773 0.85 MEN1 (0.49) HTR2CALDH1A1KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4656201-A2 RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-12-03 EP disclosed
US-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. 2025-06-19 US disclosed
US-12252497-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2025-03-18 US disclosed
US-20250051306-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-02-13 US disclosed
US-20240277796-A1 METHODS FOR INHIBITING RAS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-08-22 US disclosed
US-20240262847-A1 COVALENT RAS INHIBITORS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-08-08 US disclosed
EP-4346898-A1 METHODS FOR INHIBITING RAS Revolution Medicines, Inc. (US) 2024-04-10 EP disclosed
CN-117715658-A Method for inhibiting RAS 锐新医药公司 2024-03-15 CN disclosed
EP-4334324-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2024-03-13 EP disclosed
EP-4334325-A1 RAS INHIBITORS FOR THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-03-13 EP disclosed
EP-2415766-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
EP-1615914-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
EP-1615914-A4 CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-03-12 EP disclosed
US-7205292-B2 Piperidines containing a lactam ring and a quinolinone, benzimidazolone, quinazolinone or benzodiazepinone group, e.g. N-[3R,7R)-1-(Cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3 (2H-yl)piperidine-1-carboxamide; treating headaches, migraine headaches and cluster headaches MERCK & CO., INC. (US) 2007-04-17 US disclosed
US-20060194783-A1 Cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-08-31 US disclosed
EP-1615914-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004091514-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 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 (9 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R HTR2C 32/4885ALDH1A1 209/4885KMT2A 2250/4885
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE GABRA5, CYP3A5, GABRA1 HTR2C 139/4885ALDH1A1 372/4885KMT2A 883/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R HTR2C 32/4885ALDH1A1 209/4885KMT2A 2250/4885
US-20250051306-A1 RAS INHIBITORS KRAS, NRAS, HRAS HTR2C 4725/4885ALDH1A1 4437/4885KMT2A 3685/4885
US-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS SOS1, PPM1D, PTPN1 HTR2C 4319/4885ALDH1A1 4135/4885KMT2A 1017/4885
US-20060194783-A1 Cgrp receptor antagonists BDKRB1, CCKBR, BDKRB2 HTR2C 612/4885ALDH1A1 3052/4885KMT2A 3534/4885
US-20240262847-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS HTR2C 4841/4885ALDH1A1 3445/4885KMT2A 2080/4885
US-12252497-B2 Ras inhibitors KRAS, NRAS, HRAS HTR2C 4812/4885ALDH1A1 4520/4885KMT2A 3443/4885
US-20240277796-A1 METHODS FOR INHIBITING RAS KRAS, HRAS, NRAS HTR2C 4348/4885ALDH1A1 4355/4885KMT2A 3181/4885

“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.