SCHEMBL489306

SCHEMBL489306

CC(C)(C)OC(=O)c1ccccc1-c1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
ACHE P22303 1/20 0.47
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 3/20 0.46
BRS3 P32247 4/20 0.43
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
SLC6A2 P23975 1/20 0.40
SCN1A P35498 3/20 0.40
SCN2A Q99250 3/20 0.40
SCN3A Q9NY46 3/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
BCAT2 O15382 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL8875151 0.88 ACHE (0.48) ACHESLC6A3SLC6A4BRS3SLC6A2
SCHEMBL9447390 0.86 ACHE (0.46) ACHESLC6A3SLC6A4BRS3SLC6A2
SCHEMBL283 0.86 SLC6A3 (0.48) ACHESLC6A3SLC6A4BRS3SLC6A2
SCHEMBL535 0.84 SLC6A3 (0.65) SLC6A3SLC6A4BRS3LOXL2SLC6A2
SCHEMBL9854183 0.83 ACHE (0.48) NR1H2ACHESLC6A3SLC6A4BRS3
SCHEMBL3515660 0.83 NR1H2 (0.52) NR1H2ACHESLC6A3SLC6A4BRS3
Methylamine SCHEMBL28010440 0.83 BCAT2 (0.53) SLC6A3SLC6A4SLC6A2SCN1ASCN2A
SCHEMBL29389473 0.83 BCAT2 (0.52) SLC6A3SLC6A4SLC6A2SCN1ASCN2A
SCHEMBL9531321 0.83 BCAT2 (0.52) SLC6A3SLC6A4SLC6A2SCN1ASCN2A
Hydrochloric Acid SCHEMBL680 0.82 SLC6A3 (0.63) SLC6A3SLC6A4BRS3LOXL2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-10744117-B2 PPARG modulators for the treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2020-08-18 US disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 US disclosed
US-9198899-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 US disclosed
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-09 US disclosed
US-5270317-A N-substituted heterocyclic derivatives, their preparation and the pharmaceutical compositions in which they are present ELF SANOFI (FR) 1993-12-14 US disclosed
US-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 US disclosed
WO-1992020662-A1 ACIDIC ARALKYL TRIAZOLE DERIVATIVES ACTIVE AS ANGIOTENSIN II ANTAGONISTS MERCK & CO., INC. (US) 1992-11-26 WO disclosed
US-5100897-A Hypotensive agents, congestive heart failure, ocular hypertension MERCK & CO., INC. (US) 1992-03-31 US disclosed
EP-0475206-A2 Angiotensin II receptor antagonists ABBOTT LABORATORIES (US) 1992-03-18 EP disclosed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO disclosed
EP-0445811-A2 Nitrogen-containing heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-09-11 EP disclosed
EP-0412594-A2 Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO. INC. (US) 1991-02-13 EP disclosed
EP-0409332-A2 Substituted triazoles as angiotensin II antagonists MERCK & CO. INC. (US) 1991-01-23 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP 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 (3 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-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN NR1H2 1451/4885ACHE 754/4885SLC6A3 336/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD NR1H2 55/4885ACHE 4835/4885SLC6A3 4659/4885
US-10744117-B2 PPARG modulators for the treatment of osteoporosis PPARG, PPARA, PPARD NR1H2 55/4885ACHE 4835/4885SLC6A3 4659/4885

“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.