SCHEMBL24337705

SCHEMBL24337705

CN1CCC(C[C@@H](O)CS)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ACHE P22303 1/20 0.30
ANPEP P15144 2/20 0.30
ENPEP Q07075 2/20 0.30
CPN1 P15169 1/20 0.30
CPB2 Q96IY4 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
SCHEMBL24338296 0.82 NCF1 (0.45) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL12423890 0.77 NCF1 (0.48) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL23539665 0.76 CPN1 (0.38) HRH3ANPEPENPEPCPN1CPB2
SCHEMBL1504772 0.75 NCF1 (0.46) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL10843765 0.74 KDM4E (0.37) LMNAKDM4EANPEPENPEP
SCHEMBL8972336 0.73 NCF1 (0.46) NCF1GNAI3GNAO1GNAI1KDM4E
SCHEMBL19090016 0.72 NCF1 (0.48) NCF1GNAI3GNAO1GNAI1HRH4
SCHEMBL21941844 0.72 NCF1 (0.32) NCF1
SCHEMBL102076 0.72 NCF1 (0.52) NCF1GNAI3GNAO1GNAI1HRH4
SCHEMBL2671538 0.71

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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 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 (3 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR NCF1 1626/4885CACNA2D1 1994/4885CACNA1B 970/4885
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP NCF1 1781/4885CACNA2D1 2032/4885CACNA1B 973/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS NCF1 2299/4885CACNA2D1 3193/4885CACNA1B 3919/4885

“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.