SCHEMBL12697201

SCHEMBL12697201

Cc1ccc(N2CC3CC2CO3)cn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
MAP3K12 Q12852 7/20 0.43
MAP3K7 O43318 2/20 0.41
SOS1 Q07889 3/20 0.40
PIK3CA P42336 2/20 0.40
PIK3R1 P27986 1/20 0.40
MTOR P42345 2/20 0.40
IDH1 O75874 2/20 0.39
MAP3K13 O43283 1/20 0.38

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
SCHEMBL23107400 1.00 CHRNB2 (0.55) CHRNB2CHRNA4MAP3K12MAP3K7SOS1
SCHEMBL23104674 0.82 CHRNB2 (0.55) CHRNB2CHRNA4MAP3K12PIK3CAMTOR
SCHEMBL23707037 0.82 MAP3K12 (0.43) CHRNB2CHRNA4MAP3K12MAP3K7PIK3CA
SCHEMBL23108850 0.82 CHRNB2 (0.55) CHRNB2CHRNA4MAP3K12PIK3CAMTOR
SCHEMBL23089503 0.82 CHRNB2 (0.55) CHRNB2CHRNA4MAP3K12PIK3CAMTOR
SCHEMBL22650441 0.82 CHRNB2 (0.55) CHRNB2CHRNA4MAP3K12PIK3CAMTOR
SCHEMBL25147088 0.82 MAP3K12 (0.40) CHRNB2CHRNA4MAP3K12MAP3K7SOS1
SCHEMBL23103403 0.82 MAP3K12 (0.40) CHRNB2CHRNA4MAP3K12MAP3K7SOS1
SCHEMBL23114429 0.82 SOS1 (0.41) MAP3K12SOS1PIK3CAMTORIDH1
SCHEMBL23114379 0.82 SOS1 (0.41) MAP3K12SOS1PIK3CAMTORIDH1

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
WO-2021259208-A1 TYK-2 INHIBITOR BEIGENE, LTD. (KY) 2021-12-30 WO disclosed
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-15 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 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 (2 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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 CHRNB2 202/4885CHRNA4 142/4885MAP3K12 1213/4885
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, IP6K1, PDXK CHRNB2 1299/4885CHRNA4 2353/4885MAP3K12 150/4885

“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.