SCHEMBL20204635

SCHEMBL20204635

CCC(C)c1ncc(Cc2c[nH]c3ccccc23)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.48
AHR P35869 4/20 0.47
GPR84 Q9NQS5 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 3/20 0.42
HTR1A P08908 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL20204740 0.92 CAPN1 (0.49) CAPN1AHRGPR84MEN1KMT2A
SCHEMBL21707861 0.90 CAPN1 (0.61) CAPN1AHRGPR84MEN1KMT2A
SCHEMBL21707860 0.81 AHR (0.48) CAPN1AHRGPR84MEN1KMT2A
SCHEMBL20204665 0.79 AHR (0.55) AHRGPR84MEN1KMT2AMAPT
SCHEMBL21707883 0.78 CAPN1 (0.77) CAPN1MEN1KMT2AHTT
SCHEMBL20204738 0.76 AHR (0.51) AHRGPR84MEN1KMT2AMAPT
SCHEMBL20204872 0.75 MEN1 (0.57) CAPN1AHRGPR84MEN1KMT2A
SCHEMBL20204741 0.73 MEN1 (0.57) CAPN1AHRGPR84MEN1KMT2A
SCHEMBL12598582 0.72 AHR (0.57) AHRGPR84MEN1KMT2AMAPT
SCHEMBL20204634 0.70 CAPN1 (0.46) CAPN1GPR84

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
WO-2018097999-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 WO 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-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL CAPN1 81/4885AHR 3157/4885GPR84 3992/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CAPN1 81/4885AHR 3157/4885GPR84 3992/4885

“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.