SCHEMBL24450334

SCHEMBL24450334

CC(C)NC(=O)CN1CCC(c2ccccc2)C1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.73
▸ PRCP P42785 7/20 0.56
▸ DRD2 P14416 1/20 0.55
▸ DRD4 P21917 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ NPC1 O15118 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL25852669 0.89 HTT (0.59) HTTDRD2DRD4DRD3NPC1
SCHEMBL24112340 0.85 DRD2 (0.55) HTTPRCPDRD2DRD4DRD3
SCHEMBL25760664 0.84 HTT (0.53) HTTPRCPDRD2DRD4DRD3
SCHEMBL24019673 0.82 HTT (0.54) HTTPRCPDRD2DRD4DRD3
SCHEMBL12209849 0.79 ALDH1A1 (0.60) HTTDRD2NPC1ALDH1A1LMNA
SCHEMBL26238905 0.77 PRCP (0.58) HTTPRCPDRD2DRD4DRD3
SCHEMBL14207950 0.77 DRD2 (0.63) HTTPRCPDRD2DRD4DRD3
SCHEMBL24652524 0.77 ALDH1A1 (0.57) DRD2NPC1ALDH1A1LMNAGAA
SCHEMBL3165125 0.77 ALDH1A1 (0.57) DRD2NPC1ALDH1A1LMNAGAA
SCHEMBL22409694 0.76 ALDH1A1 (0.55) HTTDRD2DRD4DRD3ALDH1A1

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 5 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 — — US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 — — US disclosed
US-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-05-26 — — 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 (3 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-20220162194-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL HTT 2625/4885PRCP 13/4885DRD2 4607/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL HTT 2625/4885PRCP 13/4885DRD2 4607/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HTT 2737/4885PRCP 11/4885DRD2 4609/4885

“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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