SCHEMBL24029313

SCHEMBL24029313

CCNC(=O)C(C)N1CCC(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PRCP P42785 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLC18A3 Q16572 2/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 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
SCHEMBL24029315 0.88 OPRM1 (0.46) OPRM1KCNH2HRH3NPC1RAB9A
SCHEMBL24112381 0.85 NPC1 (0.50) OPRM1KCNH2HRH3NPC1RAB9A
SCHEMBL24450335 0.84 RAB9A (0.49) OPRM1KCNH2HRH3NPC1RAB9A
SCHEMBL26238906 0.81 KCNH2 (0.50) OPRM1KCNH2HRH3SMN1; SMN2ALDH1A1
SCHEMBL28714355 0.76 SLC18A3 (0.49) OPRM1KCNH2HRH3NPC1RAB9A
SCHEMBL24112355 0.75 NPC1 (0.48) OPRM1KCNH2HRH3NPC1RAB9A
SCHEMBL12386859 0.75 DRD2 (0.55) OPRM1KCNH2HRH3ALDH1A1POLB
SCHEMBL24019673 0.75 HTT (0.54) NPC1RAB9ASMN1; SMN2MAPTSTAT1
SCHEMBL24450336 0.74 NPC1 (0.47) OPRM1KCNH2HRH3NPC1RAB9A
SCHEMBL12609029 0.74 HRH3 (0.56) OPRM1KCNH2HRH3KDM1ASLC18A3

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-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 — — US disclosed
US-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-04-26 — — US disclosed
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2021-11-18 — — 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 (4 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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof CTSV, CTRL, CTSL OPRM1 4652/4885KCNH2 4312/4885HRH3 3493/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL OPRM1 4652/4885KCNH2 4312/4885HRH3 3493/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL OPRM1 4719/4885KCNH2 4597/4885HRH3 3298/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV OPRM1 4685/4885KCNH2 4169/4885HRH3 3510/4885

“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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