SCHEMBL24801903

SCHEMBL24801903

COC[C@@]1(C)CN(Cc2ccccc2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
CYP2D6 P10635 6/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 6/20 0.42
CYP3A4 P08684 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MC4R P32245 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL24801918 1.00 SIGMAR1 (0.47) SIGMAR1CYP2D6GAAALDH1A1TSHR
SCHEMBL24802921 0.86 SIGMAR1 (0.45) SIGMAR1CYP2D6GAAALDH1A1TSHR
SCHEMBL24801949 0.84 SIGMAR1 (0.51) SIGMAR1CYP2D6GAAALDH1A1TSHR
SCHEMBL29156328 0.84 SIGMAR1 (0.51) SIGMAR1CYP2D6GAAALDH1A1TSHR
SCHEMBL24801905 0.84 SIGMAR1 (0.51) SIGMAR1CYP2D6GAAALDH1A1TSHR
SCHEMBL3134881 0.79 SIGMAR1 (0.56) SIGMAR1CYP2D6GAAALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL4560455 0.74 CYP2D6 (0.47) SIGMAR1CYP2D6GAAALDH1A1TSHR
SCHEMBL24802024 0.73 SIGMAR1 (0.49) SIGMAR1CYP2D6GAAALDH1A1TSHR
SCHEMBL24803408 0.73 SIGMAR1 (0.49) SIGMAR1CYP2D6GAAALDH1A1TSHR
SCHEMBL336225 0.73 SIGMAR1 (0.56) SIGMAR1CYP2D6GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2024-09-26 US disclosed
EP-4359081-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN Novartis AG (CH) 2024-05-01 EP disclosed
CN-117425649-A Pyrazole derivatives as KRAS mutein inhibitors 诺华股份有限公司 2024-01-19 CN disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 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-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN KRAS, NRAS, APC SIGMAR1 4411/4885CYP2D6 2675/4885GAA 3370/4885

“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.