SCHEMBL25758621

SCHEMBL25758621

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.38
CHRM1 P11229 10/20 0.38
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
SLC8B1 Q6J4K2 1/20 0.33
PGR P06401 1/20 0.33
ATM Q13315 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
CHRM5 P08912 1/20 0.32
TGM2 P21980 1/20 0.32
CES1 P23141 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL25758503 1.00 MAPT (0.39) MAPTTP53CHRM1CYP1A2CYP2C9
SCHEMBL25758574 0.87 CHRM1 (0.35) MAPTTP53CHRM1PGRCES1
SCHEMBL25758616 0.87 CHRM1 (0.35) MAPTTP53CHRM1PGRCES1
SCHEMBL25758634 0.81 MAPT (0.39) MAPTTP53CHRM1ALOX15RECQL
SCHEMBL24020000 0.80 MAPT (0.56) MAPTTP53CHRM1CYP1A2CYP2C9
SCHEMBL25758640 0.80 MAOB (0.41) MAPTPGRMAOB
SCHEMBL23835717 0.80 MAPT (0.56) MAPTTP53CHRM1CYP1A2CYP2C9
SCHEMBL15723614 0.75 HTR5A (0.36) MAPT
SCHEMBL25758588 0.75 HTR5A (0.36) MAPT
SCHEMBL25758624 0.71 BRD4 (0.33) MAPTTP53CHRM1

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 MAPT 2276/4885TP53 527/4885CHRM1 4882/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV MAPT 2314/4885TP53 524/4885CHRM1 4881/4885

“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.