SCHEMBL24767979

SCHEMBL24767979

Cc1ccc2cncc(C(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TRPA1 O75762 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
CYP1A2 P05177 5/20 0.41
CYP2A6 P11509 4/20 0.41
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PDE10A Q9Y233 1/20 0.32
LDHA P00338 1/20 0.32
ALB P02768 1/20 0.32
LDHB P07195 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
SCHEMBL21845744 0.83 CYP1A2 (0.33) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL17811233 0.81 LMNA (0.34) LMNATRPA1
SCHEMBL21569496 0.77 CYP1A2 (0.43) LMNATRPA1CYP1A2CYP2A6PDE10A
SCHEMBL21897690 0.77 AKR1C3 (0.37)
SCHEMBL24916399 0.77 CYP11B2 (0.49) CYP1A2CYP2A6PDE10A
SCHEMBL21018477 0.77 TRPV1 (0.38) TDP1
SCHEMBL8404562 0.76 CYP1A2 (0.52) LMNACYP1A2CYP2A6TDP1ACHE
SCHEMBL29875062 0.75 ADRA2A (0.44) LMNAADRA1ACYP1A2
SCHEMBL2607435 0.75 ADRA2A (0.44) LMNAADRA1ACYP1A2
SCHEMBL18100993 0.74 CYP11B1 (0.40) LMNACYP1A2PDE10A

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
EP-4104865-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2022-12-21 EP 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 (1 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 LMNA 3551/4885TRPA1 3289/4885CHRM1 4800/4885

“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.