SCHEMBL3071569

SCHEMBL3071569

FC(F)(F)c1ccc(OC2CCNC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTR2C P28335 3/20 0.49
PRKCZ Q05513 1/20 0.48
HRH1 P35367 1/20 0.47
ROCK1 Q13464 3/20 0.45
CHUK O15111 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AKT1 P31749 1/20 0.44
CLK2 P49760 1/20 0.44
PRKX P51817 1/20 0.44
PRKG2 Q13237 1/20 0.44
DYRK1A Q13627 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
SCHEMBL23791472 1.00 SLC6A2 (0.50) SLC6A2SLC6A4CHRNB2CHRNA4HTR2C
SCHEMBL23632246 1.00 SLC6A2 (0.50) SLC6A2SLC6A4CHRNB2CHRNA4HTR2C
SCHEMBL28577996 0.90 CHRNB2 (0.51) SLC6A2SLC6A4CHRNB2CHRNA4HTR2C
SCHEMBL23166823 0.90 CHRNB2 (0.51) SLC6A2SLC6A4CHRNB2CHRNA4HTR2C
SCHEMBL28590003 0.90 CHRNB2 (0.51) SLC6A2SLC6A4CHRNB2CHRNA4HTR2C
SCHEMBL656128 0.90 HRH1 (0.59) SLC6A2SLC6A4HTR2CHRH1ROCK1
Hydrochloric Acid SCHEMBL2249443 0.88 HRH1 (0.58) SLC6A2SLC6A4HTR2CHRH1ROCK1
Hydrochloric Acid SCHEMBL2332525 0.87 HRH1 (0.56) SLC6A2SLC6A4HTR2CHRH1ROCK1
SCHEMBL3004210 0.86 SLC6A4 (0.49) SLC6A2SLC6A4CHRNB2CHRNA4HTR2C
SCHEMBL13703553 0.85 HRH1 (0.54) SLC6A2SLC6A4HTR2CHRH1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072476-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-05-14 CN disclosed
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-04-20 US disclosed
US-20230067159-A1 ROR-GAMMA-T INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-03-02 US disclosed
EP-4089080-A1 RORyT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP disclosed
EP-4089079-A1 ROR GAMMA T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP disclosed
WO-2021139599-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed
WO-2021139595-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed
CN-113072476-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed
CN-113072542-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-1843767-B1 2,5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS. HOFFMANN LA ROCHE (CH) 2009-07-08 EP disclosed
EP-1843767-B1 2,5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS. HOFFMANN LA ROCHE (CH) 2009-07-08 EP disclosed
EP-1843767-A1 2,5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS. F. Hoffmann-Roche AG (CH) 2007-10-17 EP disclosed
WO-2006077026-A1 2, 5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-I) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRY DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed
US-20060160788-A1 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 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 (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-20060160788-A1 Substituted phenyl methanone derivatives SLC6A5, SLC6A1, SLC1A1 SLC6A2 39/4885SLC6A4 26/4885CHRNB2 975/4885
US-20230067159-A1 ROR-GAMMA-T INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA SLC6A2 4870/4885SLC6A4 4879/4885CHRNB2 2172/4885
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA SLC6A2 4816/4885SLC6A4 4868/4885CHRNB2 3325/4885

“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.