SCHEMBL25768176

SCHEMBL25768176

CC(C)NC(=O)c1cc2c([nH]1)=CCCC=2OCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.43
▸ PPARG P37231 1/20 0.41
▸ ACACB O00763 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ SLC5A7 Q9GZV3 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL25768255 0.77 ALOX15 (0.41) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL24739970 0.72 KDM4E (0.48) HRH3PPARGKDM4EALDH1A1MAPT
SCHEMBL24449992 0.72 DRD2 (0.50) HRH3PPARGKDM4EALDH1A1PDGFRB
SCHEMBL25768680 0.65 L3MBTL1 (0.40) HRH3PPARGACACBKDM4EALDH1A1
SCHEMBL24019681 0.65 DRD2 (0.47) KDM4EALDH1A1MAPTPDGFRBPDGFRA
SCHEMBL18457026 0.65 CYP2D6 (0.62) HRH3KDM4EALDH1A1MAPTMEN1
SCHEMBL13702141 0.65 HRH3 (0.60) HRH3ACACBKDM4EALDH1A1MAPT
SCHEMBL25669794 0.65 HRH3 (0.50) HRH3ACACBKDM4EALDH1A1MEN1
SCHEMBL25765046 0.62 HRH3 (0.44) HRH3PPARGACACBKDM4EALDH1A1
SCHEMBL24019990 0.61 KDM4E (0.49) HRH3KDM4EALDH1A1MAPTPDGFRB

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HRH3 3510/4885PPARG 4610/4885ACACB 441/4885

“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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