SCHEMBL23502136

SCHEMBL23502136

CC(C)c1cn2cc(C(C)(C)C)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.62
MCHR1 Q99705 3/20 0.48
MAP3K5 Q99683 12/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1G2 P78368 1/20 0.39
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RCE1 Q9Y256 1/20 0.35
TSHR P16473 1/20 0.33
RET P07949 2/20 0.33
CDK2 P24941 2/20 0.33

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
SCHEMBL21937449 0.85 MCHR1 (0.60) SCN10AMCHR1KDM4ENPC1ALDH1A1
SCHEMBL798511 0.80 MCHR1 (0.45) SCN10AMCHR1KDM4ENPC1ALDH1A1
SCHEMBL15172662 0.79 SCN10A (0.61) SCN10AMCHR1MAP3K5CSNK1DCSNK1G2
SCHEMBL10022336 0.78 NPC1 (0.52) SCN10AMCHR1MAP3K5KDM4ENPC1
SCHEMBL15172730 0.77 SCN10A (1.00) SCN10AMCHR1MAP3K5ALDH1A1SMN1; SMN2
SCHEMBL12269176 0.77 SCN10A (0.40) SCN10AMCHR1KDM4ENPC1ALDH1A1
SCHEMBL15828624 0.77 SCN10A (0.48) SCN10AMCHR1MAP3K5CSNK1DCSNK1G2
SCHEMBL2707031 0.77 MCHR1 (0.49) SCN10AMCHR1MAP3K5CSNK1DCSNK1G2
SCHEMBL12197120 0.75 APP (0.46) SCN10AMCHR1MAP3K5KDM4ENPC1
SCHEMBL14701750 0.75 MCHR1 (0.41) SCN10AMCHR1KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220372033-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-11-24 US disclosed
US-11033539-B2 Compounds of formulas (VII), (VIII), (IX), (XI), (XII), (XIII), and (XIV) as muscarinic receptor 4(M4) antagonists for treating neurological diseases NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-15 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-11033539-B2 Compounds of formulas (VII), (VIII), (IX), (XI), (XII), (XIII), and (XIV) as muscarinic receptor 4(M4) antagonists for treating neurological diseases CHRM2, CHRM4, CHRM1 SCN10A 1900/4885MCHR1 167/4885MAP3K5 2424/4885
US-20220372033-A1 ANTIBACTERIAL COMPOUNDS NDUFS3, SQOR, MT-ND4 SCN10A 4645/4885MCHR1 4500/4885MAP3K5 4192/4885

“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.