SCHEMBL25758519

SCHEMBL25758519

C=C1Nc2cc(C)ccc2C1(C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR5A P47898 2/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL25758607 1.00 AKR1B1 (0.34) AKR1B1GAAHTTSMN1; SMN2HTR5A
SCHEMBL25758520 0.86 CYP1A2 (0.37) AKR1B1GAAKDM4EALDH1A1HSD17B10
SCHEMBL25758612 0.86 CYP1A2 (0.37) AKR1B1GAAKDM4EALDH1A1HSD17B10
SCHEMBL25758648 0.81 HTR5A (0.32) HTR5AHTR2AHTR2C
SCHEMBL25758517 0.81 AKR1B1 (0.35) AKR1B1HTR5AHTR2AHTR2C
SCHEMBL25758561 0.81 HTR5A (0.32) HTR5AHTR2AHTR2C
SCHEMBL25758600 0.81 AKR1B1 (0.35) AKR1B1HTR5AHTR2AHTR2C
SCHEMBL24029215 0.79 AKR1B1 (0.43) AKR1B1GAAHTTSMN1; SMN2ALDH1A1
SCHEMBL23835847 0.79 AKR1B1 (0.43) AKR1B1GAAHTTSMN1; SMN2ALDH1A1
SCHEMBL15221224 0.78 AKR1B1 (0.37) AKR1B1GAAHTTSMN1; SMN2HTR5A

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 3400/4885GAA 329/4885HTT 2625/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV AKR1B1 3391/4885GAA 326/4885HTT 2737/4885

“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.