SCHEMBL991996

SCHEMBL991996

O=C(O)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
AGTR2 P50052 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP1A2 P05177 1/20 0.36
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGA4 P13612 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL23274047 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL4047414 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL23415469 0.98 CHRM2 (0.37) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL23415565 0.98 CHRM2 (0.37) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL23415467 0.98 CHRM2 (0.37) CHRM2CHRM1CHRM3AGTR2KEAP1
SCHEMBL16498041 0.86 KIF11 (0.42) NOTUMALDH1A1SMN1; SMN2
SCHEMBL3825923 0.85 CHRM3 (0.36) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL25897057 0.85 CHRM3 (0.36) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL3825928 0.85 MAPT (0.40) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL5234612 0.84 S1PR1 (0.39) NOTUMALDH1A1SLC6A1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP claimed
EP-4048671-B1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS KRAS G12C AND KRAS G12D INHIBITORS IN THE TREATMENT OF CANCER AMGEN INC (US) 2026-03-18 EP disclosed
EP-4684786-A2 PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS KRAS G12C AND KRAS G12D INHIBITORS IN THE TREATMENT OF CANCER Amgen Inc. (US) 2026-01-28 EP disclosed
US-12528818-B2 Compositions and methods for inhibition of RAS LEIDOS BIOMEDICAL RESEARCH, INC. (US) 2026-01-20 US disclosed
EP-4656201-A2 RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-12-03 EP disclosed
US-20250270225-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS NNSA 2025-08-28 US disclosed
US-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. 2025-06-19 US disclosed
CN-115873020-B RAS inhibitors 锐新医药公司 2025-06-13 CN disclosed
US-12252497-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2025-03-18 US disclosed
US-20250051306-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-02-13 US disclosed
EP-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP disclosed
US-20090022664-A1 Radiolabelling via fluorination of aziridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-20090022664-A1 Radiolabelling via fluorination of aziridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-20090022664-A1 Radiolabelling via fluorination of aziridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
EP-1985624-A2 Single step method of radiofluorination of biologically active compounds or biomolecules Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP disclosed
WO-2008083729-A1 RADIOLABELLING VIA FLUORINATION OF AZIRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-17 WO disclosed
EP-1944288-A1 Radiolabelling via fluorination of aziridines Bayer Schering Pharma Aktiengesellschaft (DE) 2008-07-16 EP disclosed
EP-1944288-A1 Radiolabelling via fluorination of aziridines Bayer Schering Pharma Aktiengesellschaft (DE) 2008-07-16 EP disclosed
US-6852865-B2 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. (US) 2005-02-08 US disclosed
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. 2003-08-28 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 (7 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-20250051306-A1 RAS INHIBITORS KRAS, NRAS, HRAS CHRM2 4885/4885CHRM1 4884/4885CHRM3 4874/4885
US-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS SOS1, PPM1D, PTPN1 CHRM2 4876/4885CHRM1 4864/4885CHRM3 4877/4885
US-20250270225-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS KRAS, NRAS, HRAS CHRM2 4759/4885CHRM1 4666/4885CHRM3 4813/4885
US-20090022664-A1 Radiolabelling via fluorination of aziridines TMEM14C, ARFGEF1, NPFFR1 CHRM2 1990/4885CHRM1 1307/4885CHRM3 1654/4885
US-12252497-B2 Ras inhibitors KRAS, NRAS, HRAS CHRM2 4885/4885CHRM1 4884/4885CHRM3 4879/4885
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles LOX, CA9, LPO CHRM2 294/4885CHRM1 115/4885CHRM3 668/4885
US-12528818-B2 Compositions and methods for inhibition of RAS KRAS, NRAS, HRAS CHRM2 3912/4885CHRM1 3585/4885CHRM3 4676/4885

“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.