Sugi Predict

Sugi Predict / Compounds / SCHEMBL2809491

SCHEMBL2809491

SCHEMBL2809491

OC1CCCc2cnccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.48
▸ CHRNB2 P17787 3/20 0.46
▸ CHRNA4 P43681 3/20 0.46
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ PGR P06401 1/20 0.36
▸ UGT2B17 O75795 2/20 0.36
▸ KDM4C Q9H3R0 3/20 0.36
▸ KDM5A P29375 2/20 0.36
▸ KDM5B Q9UGL1 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ FDPS P14324 1/20 0.36

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
SCHEMBL12993443 1.00 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4IDO1TDO2
SCHEMBL18816531 0.89 IDO1 (0.43) SIGMAR1CHRNB2CHRNA4IDO1TDO2
SCHEMBL30251479 0.89 IDO1 (0.43) SIGMAR1CHRNB2CHRNA4IDO1TDO2
SCHEMBL15386162 0.89 IDO1 (0.43) SIGMAR1CHRNB2CHRNA4IDO1TDO2
SCHEMBL16363076 0.85 CHRNB2 (0.58) SIGMAR1CHRNB2CHRNA4IDO1TDO2
SCHEMBL7258173 0.85 CHRNB2 (0.58) SIGMAR1CHRNB2CHRNA4IDO1TDO2
SCHEMBL16363087 0.85 CHRNB2 (0.58) SIGMAR1CHRNB2CHRNA4IDO1TDO2
Hydrochloric Acid SCHEMBL28304616 0.84 CHRNB2 (0.57) SIGMAR1CHRNB2CHRNA4IDO1TDO2
SCHEMBL23022287 0.78 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4IDO1TDO2
SCHEMBL5051448 0.78 SIGMAR1 (0.48) SIGMAR1CHRNB2CHRNA4IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341127-B Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-12-17 — — CN disclosed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 — — EP 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
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2022-09-15 — — US disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 — — CN disclosed
CN-114341127-A Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-04-12 — — CN disclosed
EP-3956330-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A] PYRIDINE DERIVATIVES AND USE THEREOF The Johns Hopkins University (US) 2022-02-23 — — EP disclosed
WO-2020215094-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A] PYRIDINE DERIVATIVES AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2020-10-22 — — WO disclosed
CN-101878209-A Oxypertine derivative as histamine receptor antagonists SCHERING CORP 2010-11-03 — — CN disclosed
US-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-30 — — US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 — — US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 — — US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 — — US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 — — EP disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 — — CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 — — EP disclosed
EP-0489379-B1 5-amino-5,6,7,8-tetrahydroquinolines and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-07-15 — — EP disclosed
US-5310914-A Imination, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-05-10 — — US disclosed
EP-0489379-A1 5-amino-5,6,7,8-tetrahydroquinolines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-06-10 — — EP disclosed
US-5110815-A Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-05 — — 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 (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-20020019531-A1 Indoles INMT, MUSK, MB SIGMAR1 1200/4885CHRNB2 166/4885CHRNA4 75/4885
US-20100249098-A1 OXYPIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF OPRK1, GPR119, OPRD1 SIGMAR1 114/4885CHRNB2 926/4885CHRNA4 241/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 SIGMAR1 523/4885CHRNB2 34/4885CHRNA4 3/4885
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF MAPKAPK5, STK25, STK35 SIGMAR1 2753/4885CHRNB2 3235/4885CHRNA4 4123/4885
US-20230086702-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A]PYRIDINE DERIVATIVES AND USE THEREOF SNCA, PSEN2, PRNP SIGMAR1 2236/4885CHRNB2 268/4885CHRNA4 272/4885

“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.