SCHEMBL19785502

SCHEMBL19785502

C[C@H]1CC2(CCNCC2)CO1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.32

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
SCHEMBL22241026 1.00 CHRM1 (0.32) CHRM1
SCHEMBL26936377 1.00 CHRM1 (0.32) CHRM1
SCHEMBL21780555 0.84
SCHEMBL22759617 0.84
SCHEMBL21780666 0.84
SCHEMBL23001528 0.81 ALDH1A1 (0.30)
SCHEMBL24839954 0.76 CHRM1 (0.36) CHRM1
SCHEMBL23023689 0.74
SCHEMBL24839953 0.73 CHRM1 (0.37) CHRM1
SCHEMBL22142468 0.72 CHRM1 (0.38) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118369323-A Heterocyclic compounds as SHP2 inhibitors, compositions comprising the same, and methods of use thereof 捷思英达控股有限公司 2024-07-19 CN disclosed
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
EP-3724189-B1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-10-04 EP disclosed
WO-2023169170-A1 HETEROCYCLIC COMPOUND AS SHP2 INHIBITOR, COMPOSITION COMPRISING HETEROCYCLIC COMPOUND, AND METHOD USING SAME 捷思英达控股有限公司 2023-09-14 WO disclosed
WO-2023122938-A1 HETEROCYCLIC COMPOUNDS AS SHP2 INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2023-07-06 WO disclosed
EP-4169913-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-04-26 EP disclosed
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed
WO-2022042331-A1 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-03-03 WO disclosed
WO-2021259077-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-12-30 WO disclosed
US-20210355134-A1 MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-11-18 US disclosed
EP-3889153-A1 PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2021143823-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2021-07-22 WO disclosed
WO-2021073439-A1 PYRAZINE DERIVATIVE FOR INHIBITING SHP2 ACTIVITY 杭州雷索药业有限公司 2021-04-22 WO disclosed
US-10934285-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-03-02 US disclosed
WO-2020072656-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-04-09 WO disclosed
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 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 (2 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-10934285-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN2, PTPN5 CHRM1 2448/4885
US-20210355134-A1 MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN7, PTPN1 CHRM1 4604/4885

“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.