SCHEMBL4971104

SCHEMBL4971104

O=C(O)N1CCN(Cc2ccccc2)C(CO)C1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.54
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA4 P22748 4/20 0.52
CA9 Q16790 4/20 0.52
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.44
GBA1 P04062 1/20 0.43

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
SCHEMBL3495972 1.00 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL20974922 1.00 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL23496804 0.89 CA1 (0.65) SIGMAR1CA1CA2CA4CA9
SCHEMBL29111200 0.89 CA1 (0.65) SIGMAR1CA1CA2CA4CA9
SCHEMBL474176 0.89 SIGMAR1 (0.46) SIGMAR1CA1CA2CA4CA9
SCHEMBL27533150 0.88 CA1 (0.63) CA1CA2CA4CA9
SCHEMBL26094131 0.87 CA1 (0.50) SIGMAR1CA1CA2CA4CA9
SCHEMBL26094136 0.87 CA1 (0.50) SIGMAR1CA1CA2CA4CA9
SCHEMBL3493200 0.87 CA1 (0.50) SIGMAR1CA1CA2CA4CA9
SCHEMBL26697729 0.84 SIGMAR1 (0.67) SIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
WO-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
CN-111989321-A KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2020-11-24 CN disclosed
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 EP disclosed
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 US disclosed
US-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 US disclosed
US-20190144444-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-05-16 US disclosed
CN-109311889-A Activin receptor-like kinase inhibitors 蓝图药品公司 2019-02-05 CN disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
WO-2005037803-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-04-28 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 (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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SIGMAR1 4812/4885CA1 3612/4885CA2 2065/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SIGMAR1 4812/4885CA1 3612/4885CA2 2065/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS SIGMAR1 4812/4885CA1 3612/4885CA2 2065/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SIGMAR1 4812/4885CA1 3612/4885CA2 2065/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SIGMAR1 4812/4885CA1 3612/4885CA2 2065/4885

“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.