SCHEMBL25758640

SCHEMBL25758640

C=C1Nc2ccc(F)cc2[C@H]1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.32
PGR P06401 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
NOX1 Q9Y5S8 1/20 0.30
MAPT P10636 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
SCHEMBL15723676 1.00 MAOB (0.41) MAOBKMT2AMEN1PGRHTR2C
SCHEMBL15723706 0.87 MAOB (0.36) MAOBKMT2AMEN1HTR2CCHRNB2
SCHEMBL25758635 0.87 MAOB (0.36) MAOBKMT2AMEN1HTR2CCHRNB2
SCHEMBL25758634 0.81 MAPT (0.39) MAOBKMT2AMEN1CHRNB2CHRNA4
SCHEMBL23836080 0.80 MAOB (0.60) MAOBKMT2AMEN1HTR2CHTR2A
SCHEMBL25758503 0.80 MAPT (0.39) MAOBPGRMAPT
SCHEMBL25758621 0.80 MAPT (0.39) MAOBPGRMAPT
SCHEMBL14555396 0.80 MAOB (0.60) MAOBKMT2AMEN1HTR2CHTR2A
SCHEMBL25758588 0.75 HTR5A (0.36) KMT2AMEN1HTR2AMAPT
SCHEMBL15723614 0.75 HTR5A (0.36) KMT2AMEN1HTR2AMAPT

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 MAOB 1859/4885KMT2A 3478/4885MEN1 4363/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV MAOB 1780/4885KMT2A 3383/4885MEN1 4306/4885

“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.