SCHEMBL24450335

SCHEMBL24450335

CC(C)NC(=O)C(C)N1CCC(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.49
▸ NPC1 O15118 8/20 0.49
▸ SMN1; SMN2 Q16637 7/20 0.49
▸ TP53 P04637 4/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ HTT P42858 2/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ PRCP P42785 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM1A O60341 1/20 0.44

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
SCHEMBL24112381 0.88 NPC1 (0.50) RAB9ANPC1SMN1; SMN2TP53KCNH2
SCHEMBL24450336 0.87 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53KCNH2
SCHEMBL24029313 0.84 OPRM1 (0.47) RAB9ANPC1SMN1; SMN2TP53KCNH2
SCHEMBL25760663 0.84 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TP53KCNH2
SCHEMBL24019670 0.79 HRH3 (0.38) RAB9ANPC1SMN1; SMN2TP53KCNH2
SCHEMBL24112355 0.77 NPC1 (0.48) RAB9ANPC1SMN1; SMN2TP53KCNH2
SCHEMBL25760660 0.76 NPC1 (0.41) RAB9ANPC1SMN1; SMN2TP53KCNH2
SCHEMBL20005705 0.76 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL2603285 0.76 HRH3 (0.56) KCNH2HRH3KDM1AOPRM1
SCHEMBL12609029 0.76 HRH3 (0.56) KCNH2HRH3KDM1AOPRM1

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 4 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-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 RAB9A 2263/4885NPC1 545/4885SMN1; SMN2 3879/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL RAB9A 2263/4885NPC1 545/4885SMN1; SMN2 3879/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV RAB9A 2344/4885NPC1 481/4885SMN1; SMN2 3613/4885

“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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