SCHEMBL1997423

SCHEMBL1997423

CCc1ccc(C(=O)O)c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 2/20 0.57
GABRP O00591 3/20 0.56
GABRD O14764 3/20 0.56
GABRA1 P14867 3/20 0.56
GABRB1 P18505 3/20 0.56
GABRG2 P18507 3/20 0.56
GABRB3 P28472 3/20 0.56
GABRA5 P31644 3/20 0.56
GABRA3 P34903 3/20 0.56
GABRA2 P47869 3/20 0.56
GABRB2 P47870 3/20 0.56
GABRA4 P48169 3/20 0.56
GABRE P78334 3/20 0.56
GABRA6 Q16445 3/20 0.56
GABRG1 Q8N1C3 3/20 0.56
GABRG3 Q99928 3/20 0.56
GABRQ Q9UN88 3/20 0.56
ALDH1A1 P00352 4/20 0.51
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL3653761 0.85 GABRP (0.53) SMN1; SMN2RAB9AGABRPGABRDGABRA1
SCHEMBL3603220 0.85 GABRP (0.56) SMN1; SMN2RAB9AGABRPGABRDGABRA1
SCHEMBL4453924 0.83 GABRP (0.59) SMN1; SMN2RAB9AGABRPGABRDGABRA1
SCHEMBL480125 0.83 GABRP (0.55) SMN1; SMN2RAB9AGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL1169512 0.81 GABRP (0.58) SMN1; SMN2RAB9AGABRPGABRDGABRA1
SCHEMBL24834805 0.81 GABRP (0.47) SMN1; SMN2RAB9AGABRPGABRDGABRA1
SCHEMBL311735 0.81 GABRP (0.47) SMN1; SMN2RAB9AGABRPGABRDGABRA1
SCHEMBL7330187 0.81 GABRP (0.47) SMN1; SMN2RAB9AGABRPGABRDGABRA1
SCHEMBL28780187 0.80 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AALDH1A1KDM4EHPGD
SCHEMBL15211304 0.80 KDM4E (0.54) RAB9AGABRA5ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507181-B Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-26 CN disclosed
CN-114507181-A Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-05-17 CN disclosed
EP-3730487-A1 AZETIDINE DERIVATIVES AS FXR (NR1H4) MODULATORS Gilead Sciences, Inc. (US) 2020-10-28 EP disclosed
US-20120329829-A1 Dopamine Transporter Inhibitors for Use in Treatment of Movement Disorders and Other CNS Indications PREXA PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
US-8258305-B2 Dopamine transporter inhibitors for use in treatment of movement disorders and other CNS indications PREXA PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
EP-2338881-A1 Dopamine transporter inhibitors for use in treatment of movement disorders and other CNS indications Prexa Pharmaceuticals, Inc. (US) 2011-06-29 EP disclosed
US-20100217727-A1 Dopamine Transporter Inhibitors for Use in Treatment of Movement Disorders and Other CNS Indications Prexa Pharmaceuticals, Inc. c/o Advent Healthcare Ventures (US) 2010-08-26 US disclosed
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
CN-101573334-A Multi-mediator transporter inhibitors for the treatment of central nervous system disorders PREXA PHARMACEUTICALS INC (US) 2009-11-04 CN disclosed
EP-2069300-A2 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2009-06-17 EP disclosed
WO-2008024371-A2 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2008-02-28 WO disclosed
EP-1853560-A1 DOPAMINE TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF MOVEMENT DISORDERS AND OTHER CNS INDICATIONS Psychenomics, Inc. (US) 2007-11-14 EP disclosed
WO-2006091697-A1 DOPAMINE TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF MOVEMENT DISORDERS AND OTHER CNS INDICATIONS PSYCHENOMICS, INC. (US) 2006-08-31 WO disclosed
EP-1412515-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE ANTAGONISTS Genset (FR) 2004-04-28 EP disclosed
US-20030185754-A1 Treatment of CNS disorders using D-amino acid oxidase and D-aspartate oxidase antagonists GENSET, S.A. (FR) 2003-10-02 US disclosed
US-20030166554-A1 Treatment of CNS disorders using D-amino acid oxidase and D-aspartate oxidase antagonists GENSET, S.A. (FR) 2003-09-04 US disclosed
WO-2003047558-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE INHIBITORS GENSET S.A. (FR) 2003-06-12 WO disclosed
WO-2002066672-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE ANTAGONISTS GENSET S.A. (FR) 2002-08-29 WO disclosed
EP-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 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 (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-20120329829-A1 Dopamine Transporter Inhibitors for Use in Treatment of Movement Disorders and Other CNS Indications SLC6A3, SLC6A2, SLC18A2 SMN1; SMN2 318/4885RAB9A 400/4885GABRP 441/4885
US-20030185754-A1 Treatment of CNS disorders using D-amino acid oxidase and D-aspartate oxidase antagonists DDO, DAO, XDH SMN1; SMN2 2013/4885RAB9A 2909/4885GABRP 109/4885
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SLC6A4, SLC18A2, SLC6A2 SMN1; SMN2 597/4885RAB9A 2817/4885GABRP 364/4885
US-20030166554-A1 Treatment of CNS disorders using D-amino acid oxidase and D-aspartate oxidase antagonists DDO, DAO, XDH SMN1; SMN2 2013/4885RAB9A 2909/4885GABRP 109/4885
US-20100217727-A1 Dopamine Transporter Inhibitors for Use in Treatment of Movement Disorders and Other CNS Indications SLC6A3, SLC6A2, SLC18A2 SMN1; SMN2 296/4885RAB9A 645/4885GABRP 336/4885

“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.