SCHEMBL24019670

SCHEMBL24019670

CC(C)NC(=O)C(C(C)CC1CC(c2ccccc2)CN1C(C)C(=O)NC(C)C)N1CCC(c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ RAB9A P51151 6/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ PRCP P42785 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL24450336 0.79 NPC1 (0.47) HRH3KCNH2CCR5RAB9ANPC1
SCHEMBL24450335 0.79 RAB9A (0.49) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL24112355 0.69 NPC1 (0.48) HRH3KCNH2CCR5RAB9ANPC1
SCHEMBL24112381 0.69 NPC1 (0.50) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL24029315 0.69 OPRM1 (0.46) HRH3KCNH2CCR5RAB9ANPC1
SCHEMBL24029313 0.68 OPRM1 (0.47) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL25760660 0.68 NPC1 (0.41) HRH3KCNH2CCR5RAB9ANPC1
SCHEMBL25760663 0.68 NPC1 (0.43) HRH3KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL24450334 0.66 HTT (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL12609029 0.63 HRH3 (0.56) HRH3KCNH2CCR5OPRM1KDM1A

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-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 (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-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL HRH3 3298/4885KCNH2 4597/4885CCR5 666/4885

“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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