SCHEMBL24352278

SCHEMBL24352278

CC(C)NCc1ccccc1-c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.40
▸ ADRA2C P18825 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.36
▸ CYP2D6 P10635 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL23330116 0.83 TRPM8 (0.42) CASP6ADRA2CBCHEACHECD274
SCHEMBL24352255 0.81 CASP6 (0.41) CASP6CD274CYP2D6CYP1A2ALDH1A1
SCHEMBL24352279 0.79 ADRA1A (0.43) CASP6ADRA2CBCHEACHECD274
SCHEMBL23330752 0.78 KCNA5 (0.47) ADRA2CBCHEACHECD274ALDH1A1
SCHEMBL24352407 0.78 CASP6 (0.40) CASP6CCNT1CCNA2CDK2CDK9
SCHEMBL24312483 0.78 CYP2D6 (0.43) CASP6CYP2D6CYP1A2ALDH1A1HSD17B10
SCHEMBL24352253 0.77 CCNT1 (0.46) ADRA2CCCNT1CCNA2CDK2CDK9
SCHEMBL24352251 0.77 ASIC3 (0.44) BCHEACHECYP2D6CYP1A2ALDH1A1
SCHEMBL24352318 0.76 CASP6 (0.44) CASP6ADRA2CBCHEACHECD274
SCHEMBL24312484 0.74 DPP4 (0.46) CASP6CYP2D6CYP1A2CLK4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119395-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-04-21 — — 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 (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-20220119395-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 CASP6 2981/4885ADRA2C 197/4885BCHE 759/4885

“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.

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