SCHEMBL22450746

SCHEMBL22450746

Cc1ccccc1-c1cn(C[C@@H]2CCCN2C(=O)[C@@H](N)C2CCCCC2)c2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.41
▸ DPP9 Q86TI2 5/20 0.40
▸ DPP4 P27487 5/20 0.39
▸ DPP8 Q6V1X1 5/20 0.39
▸ HTR6 P50406 2/20 0.37
▸ DPP7 Q9UHL4 3/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ KRAS P01116 1/20 0.36
▸ TNF P01375 3/20 0.35
▸ FAP Q12884 2/20 0.35

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
SCHEMBL24067396 0.91 KRAS (0.46) CNR1DPP9DPP4DPP8HTR6
SCHEMBL22450844 0.84 TNF (0.52) TNF
SCHEMBL22450625 0.84 TNF (0.52) TNF
SCHEMBL24067461 0.84 CNR1 (0.50) CNR1DPP9DPP4DPP8DPP7
SCHEMBL24067395 0.84 TNF (0.39) CNR1KRASTNF
SCHEMBL24182153 0.84 CNR1 (0.42) CNR1DPP9DPP4DPP8DPP7
SCHEMBL24182186 0.82 DPP9 (0.43) CNR1DPP9DPP4DPP8DPP7
SCHEMBL24067308 0.80 IL1B (0.45) CNR1HTR6
SCHEMBL24488651 0.79 TNF (0.39) CNR1TNF
SCHEMBL24182161 0.79 TNF (0.40) CNR1HTR6TNF

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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-09 — — 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 (1 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 4767/4885DPP9 226/4885DPP4 663/4885

“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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