SCHEMBL23717463

SCHEMBL23717463

COc1cc(C(C)C)cc2cn(C)nc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.34
CRHR1 P34998 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23717464 0.81 ALK (0.32)
SCHEMBL26762029 0.80 CRHR1 (0.32) CASRCRHR1HDAC4HDAC8
SCHEMBL20746863 0.78 KDM4E (0.33) ALDH1A1
SCHEMBL17127789 0.78 GABRA1 (0.36) ALDH1A1
SCHEMBL26762028 0.78 PDE4D (0.43) PDE10A
SCHEMBL29304355 0.77 MAPT (0.34) CASRALDH1A1
SCHEMBL25231224 0.77 NQO2 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19836557 0.77 OPRK1 (0.32) ALDH1A1
SCHEMBL25218816 0.77 MAPT (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29303193 0.77 KDM4E (0.32) ALDH1A1

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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN CASR 4799/4885CRHR1 1212/4885PSEN1 2307/4885
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 CASR 363/4885CRHR1 226/4885PSEN1 137/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN CASR 4799/4885CRHR1 1212/4885PSEN1 2307/4885

“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.