SCHEMBL25758600

SCHEMBL25758600

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.35
PDE7A Q13946 1/20 0.35
CMA1 P23946 1/20 0.34
AHR P35869 1/20 0.34
MDM2 Q00987 2/20 0.32
TP53 P04637 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
CES1 P23141 1/20 0.32
HTR5A P47898 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
PKM P14618 1/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNMA1 Q12791 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
SCHEMBL25758517 1.00 AKR1B1 (0.35) AKR1B1PDE7ACMA1AHRMDM2
SCHEMBL25758604 0.87 IDO1 (0.37) AKR1B1PDE7ACES1HTR2AHTR2C
SCHEMBL26177796 0.87 IDO1 (0.37) AKR1B1PDE7ACES1HTR2AHTR2C
SCHEMBL25758607 0.81 AKR1B1 (0.34) AKR1B1HTR5AHTR2AHTR2C
SCHEMBL25758519 0.81 AKR1B1 (0.34) AKR1B1HTR5AHTR2AHTR2C
SCHEMBL23836087 0.80 AKR1B1 (0.44) AKR1B1PDE7ACMA1AHRMDM2
SCHEMBL25758561 0.80 HTR5A (0.32) HTR5AHTR2AHTR2C
SCHEMBL23835849 0.80 AKR1B1 (0.44) AKR1B1PDE7ACMA1AHRMDM2
SCHEMBL25758648 0.80 HTR5A (0.32) HTR5AHTR2AHTR2C
SCHEMBL25758570 0.75 PDK2 (0.41) AKR1B1HTR5A

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 AKR1B1 3400/4885PDE7A 3365/4885CMA1 46/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV AKR1B1 3391/4885PDE7A 3305/4885CMA1 42/4885

“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.