SCHEMBL22450855

SCHEMBL22450855

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.46
▸ IL1B P01584 2/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ TNF P01375 4/20 0.40
▸ HTR3A P46098 7/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ AAK1 Q2M2I8 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
SCHEMBL24067327 0.91 CNR1 (0.46) CNR1IL1BP2RX7CNR2AAK1
SCHEMBL24067467 0.89 CNR1 (0.40) CNR1IL1BP2RX7TNFHTR3A
SCHEMBL24067457 0.88 CNR1 (0.41) CNR1IL1BP2RX7TNFHTR3A
SCHEMBL22450852 0.88 CNR1 (0.41) CNR1IL1BP2RX7TNFHTR3A
SCHEMBL24067395 0.86 TNF (0.39) CNR1IL1BP2RX7TNFAAK1
SCHEMBL24488641 0.85 CNR1 (0.39) CNR1HTR3ACNR2
SCHEMBL22450736 0.85 TNF (0.53) CNR1TNFHTR3A
SCHEMBL22450711 0.85 TNF (0.53) CNR1TNFHTR3A
SCHEMBL24182198 0.85 TNF (0.53) CNR1TNFHTR3A
SCHEMBL24067349 0.84 CNR1 (0.43) CNR1IL1BP2RX7CNR2AAK1

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 4 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
EP-3712162-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-09-23 — — EP 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 4767/4885IL1B 784/4885P2RX7 3029/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 CNR1 4859/4885IL1B 1650/4885P2RX7 3661/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 CNR1 4859/4885IL1B 1650/4885P2RX7 3661/4885

“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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