SCHEMBL21467201

SCHEMBL21467201

CC(C)NC(=O)c1ccc2cc(C(C)(C)C)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.57
CYP3A4 P08684 3/20 0.57
MLYCD O95822 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
HPGDS O60760 1/20 0.47
MAPT P10636 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ENPP1 P22413 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
B3GNT2 Q9NY97 1/20 0.43

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
SCHEMBL12377330 0.85 NR1H4 (0.63) MLYCDNPSR1NR1H4MAPTHDAC1
SCHEMBL2627052 0.82 PLAU (0.58) CYP17A1CYP3A4NR1H4MAPTHDAC1
SCHEMBL2903698 0.81 NR1H4 (0.56) CYP17A1CYP3A4NR1H4HDAC1ALDH1A1
SCHEMBL15317677 0.81 NPSR1 (0.74) NPSR1NR1H4MEN1KMT2A
SCHEMBL10076788 0.80 PLAU (0.60) CYP17A1CYP3A4MLYCDNPSR1HPGDS
SCHEMBL7477122 0.80 NPC1 (0.56) NPSR1HDAC1ALDH1A1MEN1NPC1
SCHEMBL3030047 0.80 HPGDS (0.51) CYP17A1CYP3A4MLYCDNPSR1HPGDS
SCHEMBL26885174 0.80 KDM4E (0.56) CYP17A1CYP3A4MLYCDNPSR1NR1H4
SCHEMBL21467202 0.79 CYP17A1 (0.40) CYP17A1CYP3A4NR1H4MAPTHDAC1
SCHEMBL263634 0.79 KIF11 (0.57) CYP17A1CYP3A4NPSR1MAPTHDAC1

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-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-10441576-B2 Substituted 1,2-dihydro-3H pyrrolo[1,2-c]imidazol-3 one antibacterials IDORSIA PHARMACEUTICALS LTD. (CH) 2019-10-15 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-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R CYP17A1 4820/4885CYP3A4 3731/4885MLYCD 3774/4885
US-10441576-B2 Substituted 1,2-dihydro-3H pyrrolo[1,2-c]imidazol-3 one antibacterials CTSH, MRPL21, CASP3 CYP17A1 2118/4885CYP3A4 805/4885MLYCD 923/4885

“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.