SCHEMBL24067457

SCHEMBL24067457

CC(=O)c1cn(C[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C2CCCCC2)c2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.41
▸ TNF P01375 4/20 0.40
▸ HTR3A P46098 5/20 0.37
▸ IL1B P01584 2/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ CFD P00746 1/20 0.34
▸ XIAP P98170 3/20 0.34
▸ BIRC3 Q13489 2/20 0.34

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
SCHEMBL22450852 1.00 CNR1 (0.41) CNR1TNFHTR3AIL1BP2RX7
SCHEMBL24488619 0.94 CNR1 (0.42) CNR1TNFHTR3AIL1BP2RX7
SCHEMBL22450721 0.92 CNR1 (0.41) CNR1TNFIL1BP2RX7CNR2
SCHEMBL24067507 0.90 TNF (0.40) CNR1TNFIL1BP2RX7XIAP
SCHEMBL24067391 0.90 TNF (0.40) CNR1TNFHTR3AIL1BP2RX7
SCHEMBL24488651 0.88 TNF (0.39) CNR1TNFIL1BP2RX7XIAP
SCHEMBL22450855 0.88 CNR1 (0.46) CNR1TNFHTR3AIL1BP2RX7
SCHEMBL24488604 0.87 CNR1 (0.40) CNR1TNFIL1BP2RX7CNR2
SCHEMBL24067351 0.87 CNR1 (0.40) CNR1TNFIL1BP2RX7CNR2
SCHEMBL24067462 0.87 XIAP (0.36) CNR1TNFHTR3ACNR2XIAP

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 CNR1 4767/4885TNF 1106/4885HTR3A 4755/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 CNR1 4859/4885TNF 1538/4885HTR3A 4288/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 CNR1 4859/4885TNF 1538/4885HTR3A 4288/4885

“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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