SCHEMBL24019681

SCHEMBL24019681

CCC(C)NC(=O)c1cc2c(OCCN3CCOCC3)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ RCE1 Q9Y256 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ CNR2 P34972 3/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ CAMKK2 Q96RR4 1/20 0.42

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
SCHEMBL24449992 0.93 DRD2 (0.50) DRD2DRD3PDGFRBPDGFRAKDM4E
SCHEMBL23836113 0.87 KDM4E (0.53) DRD2DRD3PDGFRBPDGFRAKDM4E
SCHEMBL24020774 0.84 SRD5A2 (0.56) DRD2DRD3PDGFRBPDGFRAKDM4E
SCHEMBL24020775 0.84 DRD2 (0.55) DRD2DRD3PDGFRBPDGFRAKDM4E
SCHEMBL25789783 0.78 KMT2A (0.69) KDM4EMEN1KMT2ARCE1POLB
SCHEMBL23836100 0.76 KMT2A (0.57) DRD2DRD3KDM4EMEN1KMT2A
SCHEMBL24019971 0.73 KMT2A (0.59) DRD2DRD3KDM4EMEN1KMT2A
SCHEMBL4067053 0.72 MAOB (0.53) KDM4EMEN1KMT2APOLBCNR2
SCHEMBL24019769 0.71 KMT2A (0.56) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL6962192 0.71 PARP1 (0.47) DRD2DRD3KMT2A

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 — — 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-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL DRD2 4365/4885DRD3 3300/4885PDGFRB 3175/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV DRD2 4609/4885DRD3 4255/4885PDGFRB 3187/4885

“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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