SCHEMBL24067313

SCHEMBL24067313

CC(=O)c1cn(C[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCCCC2)c2ncc(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 3/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ AAK1 Q2M2I8 2/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ F2RL3 Q96RI0 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ TNF P01375 2/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ TYK2 P29597 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
SCHEMBL24067317 0.88 CYP3A4 (0.33) IL1BP2RX7IRAK4CYP3A4TNF
SCHEMBL24067327 0.86 CNR1 (0.46) IL1BP2RX7AAK1CACNA1BCNR1
SCHEMBL24067314 0.85 CYP3A4 (0.44) CYP3A4TNF
SCHEMBL22450735 0.85 CYP3A4 (0.44) CYP3A4TNF
SCHEMBL22450894 0.85 IL1B (0.34) IL1BP2RX7IRAK4OPRK1CYP3A4
SCHEMBL22450893 0.85 CYP3A4 (0.35) IRAK4OPRK1CYP3A4CNR1TNF
SCHEMBL24067358 0.85 IL1B (0.44) IL1BP2RX7IRAK4F2RL3NR3C1
SCHEMBL22450891 0.84 CYP3A4 (0.37) CYP3A4CNR1TNFTYK2
SCHEMBL24488650 0.83 DPP4 (0.37) OPRK1CNR1
SCHEMBL22450855 0.81 CNR1 (0.46) IL1BP2RX7AAK1CNR1TNF

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-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof CHIA TAI TIANGQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-14 — — US disclosed
US-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-09 — — US disclosed
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-02 — — 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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR BIRC5, XIAP, BIRC2 IL1B 784/4885P2RX7 3029/4885AAK1 988/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 IL1B 1650/4885P2RX7 3661/4885AAK1 1017/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 IL1B 1650/4885P2RX7 3661/4885AAK1 1017/4885

“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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