SCHEMBL16634021

SCHEMBL16634021

C[C@H](CN)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR2A P28223 1/20 0.36
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL4914439 1.00 TAAR1 (0.41) TAAR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL1004941 0.87 HRH1 (0.40) TAAR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL20954473 0.84 SLC6A2 (0.41) TAAR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL17956687 0.84 SLC6A2 (0.41) TAAR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL3991039 0.84 LMNA (0.34) TAAR1SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL21379413 0.83 CYP3A4 (0.33) TAAR1SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL13915435 0.83 TRPA1 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4HTT
SCHEMBL21379414 0.83 CYP3A4 (0.33) TAAR1SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL4766097 0.83 TRPA1 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4HTT
SCHEMBL15467266 0.83 SMYD2 (0.34) TAAR1SLC6A2SLC6A4SLC6A3CYP3A4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4683918-A1 NLRP3 INFLAMMASOME INHIBITORS AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-01-28 EP disclosed
WO-2024193541-A1 NLRP3 INFLAMMASOME INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-09-26 WO disclosed
US-20240309048-A1 METHOD FOR PREPARING MICROCOCCIN-BASED CARBOXYLIC ACID COMPOUND AND MICROCOCCIN-BASED CARBOXYLIC ACID COMPOUND PREPARED THEREBY A & J SCIENCE CO., LTD. (KR) 2024-09-19 US disclosed
US-20240277800-A1 PHARMACEUTICAL COMPOSITION COMPRISING MACROCOSINE COMPOUND AND METHOD FOR PREPARING MACROCOSINE COMPOUND A & J SCIENCE CO., LTD. (KR) 2024-08-22 US disclosed
EP-4365188-A1 METHOD FOR PREPARING MICROCOCCIN-BASED CARBOXYLIC ACID COMPOUND AND MICROCOCCIN-BASED CARBOXYLIC ACID COMPOUND PREPARED THEREBY A&J Science Co.,Ltd. (KR) 2024-05-08 EP disclosed
EP-4342484-A1 PHARMACEUTICAL COMPOSITION COMPRISING MACROCOSINE COMPOUND AND METHOD FOR PREPARING MACROCOSINE COMPOUND A&J Science Co.,Ltd. (KR) 2024-03-27 EP disclosed
CN-117597352-A Method for producing micrococcum-based carboxylic acid compound and micrococcum-based carboxylic acid compound produced thereby A&J科学有限公司 2024-02-23 CN disclosed
CN-117597138-A Pharmaceutical compositions comprising micrococcum compounds and methods of preparing micrococcum compounds A&J科学有限公司 2024-02-23 CN disclosed
CN-110105346-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2023-03-10 CN disclosed
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 US 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 (7 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-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 TAAR1 952/4885SLC6A2 752/4885SLC6A4 1161/4885
US-20240309048-A1 METHOD FOR PREPARING MICROCOCCIN-BASED CARBOXYLIC ACID COMPOUND AND MICROCOCCIN-BASED CARBOXYLIC ACID COMPOUND PREPARED THEREBY MCCC2, ME1, COASY TAAR1 4656/4885SLC6A2 4786/4885SLC6A4 4541/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TAAR1 952/4885SLC6A2 752/4885SLC6A4 1161/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TAAR1 1319/4885SLC6A2 879/4885SLC6A4 1309/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TAAR1 952/4885SLC6A2 752/4885SLC6A4 1161/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TAAR1 952/4885SLC6A2 752/4885SLC6A4 1161/4885
US-20240277800-A1 PHARMACEUTICAL COMPOSITION COMPRISING MACROCOSINE COMPOUND AND METHOD FOR PREPARING MACROCOSINE COMPOUND SI, VIP, MLEC TAAR1 4855/4885SLC6A2 3222/4885SLC6A4 1607/4885

“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.