SCHEMBL9980265

SCHEMBL9980265

CC(C)[C@@H]1CCC(=O)N1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 0.39
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SRD5A2 P31213 2/20 0.35
PIK3CD O00329 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
SCHEMBL10303898 1.00 SRD5A1 (0.39) SRD5A1KDM4ECYP3A4THRBTSHR
SCHEMBL16079969 0.87 BRD4 (0.37) SRD5A1MAPK1PIK3CD
SCHEMBL10491068 0.85 BRD4 (0.35) SRD5A1MAPK1KMT2APIK3CD
SCHEMBL2036879 0.80 SRD5A1 (0.34) SRD5A1KDM4ECYP3A4THRBTSHR
SCHEMBL22753756 0.77 KDM4E (0.33) SRD5A1KDM4ECYP3A4THRBTSHR
SCHEMBL10160264 0.76
SCHEMBL28410579 0.76 ACE (0.33) PIK3CD
SCHEMBL2706865 0.76 TSHR (0.37) KDM4ETSHRKMT2ANPSR1PIK3CD
SCHEMBL18366635 0.76 PIK3CD (0.32) MAPK1PIK3CD
SCHEMBL10303445 0.76 TSHR (0.37) KDM4ETSHRKMT2ANPSR1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 US disclosed
WO-2022106857-A1 MALT-1 MODULATORS Exscientia Limited (GB) 2022-05-27 WO disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRD5A1 3125/4885KDM4E 2496/4885CYP3A4 1770/4885
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A SRD5A1 821/4885KDM4E 4407/4885CYP3A4 753/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SRD5A1 3125/4885KDM4E 2496/4885CYP3A4 1770/4885

“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.