SCHEMBL24352318

SCHEMBL24352318

CC(C)NCc1ccccc1-c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 2/20 0.44
▸ ADRA2C P18825 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.40
▸ CYP1A2 P05177 5/20 0.39
▸ CYP2D6 P10635 5/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL24352862 0.84 CYP1A2 (0.42) ADRA2CBCHEACHECD274CYP1A2
SCHEMBL23330116 0.83 TRPM8 (0.42) CASP6ADRA2CBCHEACHECD274
SCHEMBL24352626 0.82 CYP1A2 (0.64) CYP1A2CYP2D6MAPTCYP3A4ALDH1A1
SCHEMBL24352812 0.80 CYP1A2 (0.42) CYP1A2CYP2D6MAPTCYP3A4ALDH1A1
SCHEMBL24312596 0.80 LTA4H (0.50) CASP6CYP1A2CYP2D6MAPTCYP3A4
SCHEMBL24352241 0.80 BCHE (0.40) ADRA2CBCHEACHECD274ADRB2
SCHEMBL24352875 0.80 ADRA2C (0.48) ADRA2CBCHEACHECD274ADRB2
SCHEMBL23330752 0.78 KCNA5 (0.47) ADRA2CBCHEACHECD274MAPT
SCHEMBL24352211 0.77 CASP6 (0.49) CASP6CD274CYP1A2CYP2D6MAPT
SCHEMBL3272017 0.77 BCHE (0.55) ADRA2CBCHEACHEHRH1ALDH1A1

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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