SCHEMBL25758648

SCHEMBL25758648

C=C1Nc2cc(F)ccc2[C@@]1(C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL25758561 1.00 HTR5A (0.32) HTR5AHTR2AHTR2CBACE1
SCHEMBL25758641 0.87 KMT2A (0.36)
SCHEMBL25758557 0.87 KMT2A (0.36)
SCHEMBL25758607 0.81 AKR1B1 (0.34) HTR5AHTR2AHTR2C
SCHEMBL25758519 0.81 AKR1B1 (0.34) HTR5AHTR2AHTR2C
SCHEMBL23835757 0.80 KMT2A (0.40) HTR2AHTR2C
SCHEMBL25758517 0.80 AKR1B1 (0.35) HTR5AHTR2AHTR2C
SCHEMBL25758600 0.80 AKR1B1 (0.35) HTR5AHTR2AHTR2C
SCHEMBL24019924 0.80 KMT2A (0.40) HTR2AHTR2C
SCHEMBL25758652 0.75 PDK2 (0.41) HTR5A

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 HTR5A 4019/4885HTR2A 3850/4885HTR2C 1468/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HTR5A 3995/4885HTR2A 3835/4885HTR2C 1561/4885

“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.