Sugi Predict

Sugi Predict / Compounds / SCHEMBL7258173

SCHEMBL7258173

SCHEMBL7258173

OC1CCCc2ccncc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.58
▸ CHRNA4 P43681 2/20 0.58
▸ SIGMAR1 Q99720 1/20 0.48
▸ CHRNA7 P36544 1/20 0.46
▸ FDPS P14324 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ KDM4C Q9H3R0 3/20 0.39
▸ KDM5A P29375 2/20 0.39
▸ KDM5B Q9UGL1 2/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38

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
SCHEMBL16363087 1.00 CHRNB2 (0.58) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS
SCHEMBL16363076 1.00 CHRNB2 (0.58) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS
Hydrochloric Acid SCHEMBL28304616 0.98 CHRNB2 (0.57) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS
SCHEMBL21601775 0.89 CHRNB2 (0.53) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS
SCHEMBL29649288 0.89 CHRNB2 (0.53) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS
SCHEMBL2809491 0.85 SIGMAR1 (0.48) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS
SCHEMBL12993443 0.85 SIGMAR1 (0.48) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS
SCHEMBL23756600 0.78 CHRNB2 (0.58) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS
SCHEMBL12891530 0.78 CHRNB2 (0.63) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS
SCHEMBL15495498 0.78 CHRNB2 (0.58) CHRNB2CHRNA4SIGMAR1CHRNA7FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 — — EP claimed
US-12583858-B2 TDO2 inhibitors GENENTECH, INC. (US) 2026-03-24 — — US disclosed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 — — EP disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 — — WO disclosed
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 — — CN disclosed
US-20230086702-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A]PYRIDINE DERIVATIVES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-23 — — US disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 — — CN disclosed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 — — US disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 — — US disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 — — CN disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 — — US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 — — US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 — — EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 — — CN disclosed
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-01-10 — — US disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 — — EP disclosed
CN-108430972-A α, β unsaturated acyl amine compounds 协和发酵麒麟株式会社 2018-08-21 — — CN disclosed
EP-3016961-B1 NOVEL RUTHENIUM CATALYSTS AND THEIR USE FOR ASYMMETRIC REDUCTION OF KETONES BOEHRINGER INGELHEIM INT (DE) 2017-11-15 — — EP disclosed
CN-104245674-A Novel phenyl-tetrahydroisoquinoline derivatives HOFFMANN LA ROCHE 2014-12-24 — — CN disclosed
WO-2003014089-A1 AMINOTETRAHYDROISOQUINOLINE DERIVATIVES AS ANALGESICS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2003-02-20 — — 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 (6 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-12583858-B2 TDO2 inhibitors TDO2, IDO2, TPH2 CHRNB2 641/4885CHRNA4 1953/4885SIGMAR1 287/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB CHRNB2 52/4885CHRNA4 94/4885SIGMAR1 145/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 CHRNB2 97/4885CHRNA4 128/4885SIGMAR1 135/4885
US-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 CHRNB2 2272/4885CHRNA4 4169/4885SIGMAR1 3686/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 CHRNB2 68/4885CHRNA4 111/4885SIGMAR1 121/4885
US-20230086702-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A]PYRIDINE DERIVATIVES AND USE THEREOF SNCA, PSEN2, PRNP CHRNB2 268/4885CHRNA4 272/4885SIGMAR1 2236/4885

“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.