SCHEMBL25758904

SCHEMBL25758904

CC(C)C1CC(Cc2cccnc2)CN1C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
PIK3CD O00329 1/20 0.41

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
SCHEMBL24754491 0.85 CHRNA7 (0.43) CHRNB2CHRNA7CHRNA4CHRM2CHRM1
SCHEMBL25758908 0.83 GBA1 (0.42)
SCHEMBL25839729 0.82 HRH3 (0.47) CHRNB2CHRNA7CHRNA4CHRM2CHRM1
SCHEMBL25785937 0.78 CHRM2 (0.44) CHRNB2CHRNA7CHRNA4CHRM2CHRM1
SCHEMBL25758913 0.73 ALDH1A1 (0.46) CHRNB2CHRNA7CHRNA4
SCHEMBL13504063 0.73 CHRNA7 (0.46) CHRNB2CHRNA7CHRNA4CHRM2CHRM1
SCHEMBL2743291 0.73 CHRM2 (0.68) CHRNB2CHRNA7CHRNA4CHRM2CHRM1
SCHEMBL9298549 0.72 ALDH1A1 (0.48) CHRNB2CHRNA7CHRNA4
SCHEMBL24112874 0.72 HRH3 (0.46) CHRNB2CHRNA7CHRNA4CHRM2CHRM1
SCHEMBL17896405 0.71 CHRM2 (0.49) CHRNB2CHRNA7CHRNA4CHRM2CHRM1

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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL CHRNB2 4856/4885CHRNA7 4874/4885CHRNA4 4885/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CHRNB2 4841/4885CHRNA7 4866/4885CHRNA4 4885/4885

“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.