SCHEMBL25616626

SCHEMBL25616626

CC(C)N1CC2COCC(C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KCNK3 O14649 2/20 0.37
KCNK9 Q9NPC2 2/20 0.37
PREP P48147 3/20 0.37
CCR2 P41597 3/20 0.36
RECQL P46063 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL7850221 0.87 CHRM2 (0.58) CHRM2CHRM1CHRM3HSD11B1HRH3
SCHEMBL18390342 0.87 CHRM2 (0.54) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL5243293 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL11993192 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL8305574 0.82 CHRM2 (0.64) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL11993160 0.80 CHRM2 (0.50) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL24726807 0.79 CHRM2 (0.44) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL911596 0.79 CHRM2 (0.56) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL25343472 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL17483515 0.78 CHRM2 (0.55) CHRM2CHRM1CHRM3USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 US disclosed
WO-2023099624-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 WO disclosed
WO-2023099612-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 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 (1 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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 CHRM2 903/4885CHRM1 1100/4885CHRM3 2895/4885

“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.