SCHEMBL20007553

SCHEMBL20007553

CS(C)(C)CCOCN1C(=O)Cc2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
USP1 O94782 13/20 0.34
CRHR1 P34998 1/20 0.34
MEN1 O00255 2/20 0.33
APAF1 O14727 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
BRD4 O60885 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL21992616 0.85 ADRA2A (0.43) ADRA2AADRA2BADRA2CUSP1CRHR1
SCHEMBL260442 0.83 ADRA2A (0.36) ADRA2AADRA2BADRA2CUSP1CRHR1
SCHEMBL18403274 0.79 PDE4B (0.40)
SCHEMBL20007592 0.74 EGLN1 (0.38)
SCHEMBL18516659 0.73 LMNA (0.31)
SCHEMBL23257662 0.72
SCHEMBL6407223 0.70 CRHR1 (0.41) ADRA2AADRA2BADRA2CCRHR1MEN1
SCHEMBL23257568 0.69 CALCRL (0.34)
SCHEMBL25569993 0.68 BRD4 (0.35) KMT2AALDH1A1BRD4
SCHEMBL31414328 0.68 ALDH1A1 (0.42) CRHR1ALDH1A1MAPT

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-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 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 (3 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-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 ADRA2A 51/4885ADRA2B 45/4885ADRA2C 39/4885
US-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H ADRA2A 4738/4885ADRA2B 4526/4885ADRA2C 4646/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H ADRA2A 4738/4885ADRA2B 4526/4885ADRA2C 4646/4885

“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.