SCHEMBL10179741

SCHEMBL10179741

CCN1CCC(C)(F)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CHRNA7 P36544 1/20 0.31
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL27282019 0.85
SCHEMBL27281478 0.85
SCHEMBL14818910 0.85
SCHEMBL26521285 0.82 ACHE (0.39) OPRM1SMN1; SMN2
SCHEMBL1710042 0.81 KDM4E (0.37) KDM4EGAATSHROPRM1OPRD1
SCHEMBL13564381 0.80 KDM4E (0.40) KDM4E
SCHEMBL16508773 0.79 KDM4E (0.36) KDM4EGAATSHROPRM1OPRD1
SCHEMBL6922492 0.78 GAA (0.38) KDM4EGAATSHROPRM1OPRD1
SCHEMBL25794064 0.77 KDM4E (0.35) KDM4EGAATSHROPRM1OPRD1
SCHEMBL27360376 0.77 S1PR1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
EP-4393919-A1 LSD1 MODULATORS Exscientia Al Limited (GB) 2024-07-03 EP disclosed
WO-2024015863-A1 CBL-B INHIBITOR, COMPOSITIONS COMPRISING A CBL-B INHIBITOR IN A METHOD OF TREATING A DISEASE ASSOCIATED WITH CELL PROLIFERATION HOTSPOT THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230212172-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES SAINT LOUIS UNIVERSITY 2023-07-06 US disclosed
US-20230159498-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER ATHOS THERAPEUTICS, INC. 2023-05-25 US disclosed
WO-2022221704-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. (US) 2022-10-20 WO disclosed
WO-2022022600-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-02-03 WO disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 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 (4 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-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 KDM4E 2063/4885GAA 766/4885TSHR 859/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 KDM4E 674/4885GAA 2982/4885TSHR 2238/4885
US-20230159498-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER SSB, HLA-DRB1, UACA KDM4E 2515/4885GAA 2517/4885TSHR 2607/4885
US-20230212172-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES AADAC, PAICS, PNPO KDM4E 3745/4885GAA 2827/4885TSHR 2162/4885

“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.