SCHEMBL7566016

SCHEMBL7566016

NC(C(=O)O)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
ACP3 P15309 1/20 0.44
RET P07949 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
GRM1 Q13255 2/20 0.40
HTR2C P28335 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM4 Q14833 1/20 0.40
TACR1 P25103 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40

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
SCHEMBL9241163 1.00 HTR2A (0.44) HTR2AACP3RETTSHRNPSR1
SCHEMBL9242330 1.00 HTR2A (0.44) HTR2AACP3RETTSHRNPSR1
Hydrochloric Acid SCHEMBL9249933 0.98 TSHR (0.45) HTR2AACP3RETTSHRNPSR1
Hydrochloric Acid SCHEMBL9241955 0.98 TSHR (0.45) HTR2AACP3RETTSHRNPSR1
Hydrochloric Acid SCHEMBL9240266 0.98 TSHR (0.45) HTR2AACP3RETTSHRNPSR1
SCHEMBL9244027 0.85 MTNR1B (0.38) HTR2AACP3TSHRNPSR1HTT
SCHEMBL10739890 0.81 ACP3 (0.47) HTR2AACP3RETTSHRNPSR1
SCHEMBL7681625 0.79 CYP1A2 (0.56) TSHRGRM1GRM2GRM4CYP1A2
SCHEMBL8197048 0.79 CYP1A2 (0.56) TSHRGRM1GRM2GRM4CYP1A2
SCHEMBL31609333 0.79 IDO1 (0.42) TSHRNPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637305-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1995-02-08 EP claimed
WO-1993021176-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1993-10-28 WO claimed
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 US disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed
EP-2444400-B1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2018-03-28 EP disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-6096744-A ANTICONVULSANTS WARNER-LAMBERT COMPANY (US) 2000-08-01 US disclosed
US-6063774-A NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-16 US disclosed
WO-1998027097-A1 TRICYCLIC QUINOXALINE DERIVATIVES AS NEUROPROTECTIVE AGENTS WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed
US-5614508-A ANTIISCHEMIC AGENTS, ALZHEIMERS, STROKE OR NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1997-03-25 US disclosed
US-5449778-A Peptide intermediates WARNER-LAMBERT COMPANY (US) 1995-09-12 US disclosed
EP-0637305-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1995-02-08 EP disclosed
US-5380925-A Cyclic amino acids and derivatives thereof WARNER-LAMBERT COMPANY (US) 1995-01-10 US disclosed
US-5264577-A Cyclic amino acids and derivatives thereof WARNER-LAMBERT COMPANY (US) 1993-11-23 US disclosed
WO-1993021176-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1993-10-28 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 (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-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HTR2A 3244/4885ACP3 773/4885RET 2798/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HTR2A 3244/4885ACP3 773/4885RET 2798/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 HTR2A 3231/4885ACP3 782/4885RET 2683/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 HTR2A 3244/4885ACP3 773/4885RET 2798/4885

“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.