SCHEMBL19738739

SCHEMBL19738739

CCC(C)(C)n1ncc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.42
▸ SLC6A2 P23975 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ KMO O15229 1/20 0.38
▸ ASAH1 Q13510 1/20 0.38
▸ PDE10A Q9Y233 3/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CASP1 P29466 3/20 0.36
▸ CASP7 P55210 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36

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
SCHEMBL19684424 0.86 SLC6A2 (0.40) RECQLSLC6A2CYP11B1CYP11B2CYP1A2
SCHEMBL22559859 0.83 RECQL (0.40) RECQLSLC6A2CYP11B1CYP11B2CYP1A2
SCHEMBL30449976 0.81 RECQL (0.43) RECQLSLC6A2CYP11B1CYP11B2CYP1A2
SCHEMBL10050859 0.81 RECQL (0.43) RECQLSLC6A2CYP11B1CYP11B2CYP1A2
SCHEMBL28172026 0.79 CYP11B1 (0.42) RECQLSLC6A2CYP11B1CYP11B2CYP1A2
SCHEMBL5305834 0.78 CYP11B1 (0.43) RECQLSLC6A2CYP11B1CYP11B2CYP1A2
SCHEMBL14155122 0.78 CYP11B1 (0.37) RECQLSLC6A2CYP11B1CYP11B2CYP1A2
SCHEMBL26997284 0.74 HTR2A (0.34) KMOPDE10ATSHRUSP2NPC1
SCHEMBL26622648 0.73 NR3C2 (0.39) CYP1A2HSD17B10TSHRUSP2NPC1
SCHEMBL26637826 0.73 TLR8 (0.33) CYP11B1CYP11B2CYP1A2POLBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 — — US disclosed
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-04-20 — — US disclosed
US-20220211802-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2022-07-07 — — US disclosed
US-10336735-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-02 — — US disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 — — US disclosed
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 — — 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 (6 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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 RECQL 1482/4885SLC6A2 4037/4885CYP11B1 571/4885
US-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 RECQL 550/4885SLC6A2 3868/4885CYP11B1 1789/4885
US-20220211802-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 RECQL 550/4885SLC6A2 3868/4885CYP11B1 1789/4885
US-10336735-B2 Small molecule inhibitors of fibrosis MMP1, COL2A1, MMP8 RECQL 3629/4885SLC6A2 4536/4885CYP11B1 2988/4885
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 RECQL 3629/4885SLC6A2 4536/4885CYP11B1 2988/4885
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA RECQL 3932/4885SLC6A2 4816/4885CYP11B1 96/4885

“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.

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