SCHEMBL26419172

SCHEMBL26419172

CN1CCC(OC2CN(C(C)(C)C)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CHRM3 P20309 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.32
NCF1 P14598 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SCN1A P35498 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
SCHEMBL22401165 0.85 ATM (0.47) ATM
SCHEMBL26419170 0.84 ATM (0.32) ATM
SCHEMBL24996579 0.83 ATM (0.45) ATM
SCHEMBL29303972 0.82 CHRM3 (0.33) ATMCHRM3CHRM2CHRM1
SCHEMBL29304327 0.82 CHRM3 (0.33) ATMCHRM3CHRM2CHRM1
SCHEMBL26419174 0.81 ATM (0.44) ATM
SCHEMBL23603456 0.81 HRH3 (0.37) CHRM3HRH3CHRM2HTR1AADRA2A
SCHEMBL12049732 0.80 HRH3 (0.42) CHRM3HRH3CHRM2HTR1AADRA2A
SCHEMBL26972308 0.79 ATM (0.42) ATM
SCHEMBL26016379 0.79 HRH3 (0.35) ATMHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 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-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND KRAS, NRAS, HRAS ATM 2907/4885CHRM3 4819/4885HRH3 3261/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C ATM 4765/4885CHRM3 431/4885HRH3 3387/4885

“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.