SCHEMBL12021498

SCHEMBL12021498

CC(=O)n1cc(C[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 3/20 0.39
▸ HTR6 P50406 7/20 0.39
▸ XIAP P98170 4/20 0.39
▸ BIRC3 Q13489 2/20 0.39
▸ TNF P01375 3/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ MLX Q9UH92 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ ELANE P08246 1/20 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
SCHEMBL14001894 1.00 CFD (0.39) CFDHTR6XIAPBIRC3TNF
SCHEMBL16219545 0.96 HTR6 (0.39) HTR6XIAPBIRC3TNFACE2
SCHEMBL12021195 0.94 CFD (0.41) CFDHTR6XIAPBIRC3TNF
SCHEMBL14001891 0.90 CFD (0.39) CFDHTR6XIAPBIRC3ACE2
SCHEMBL12021200 0.89 KDM4E (0.45) CFDHTR6XIAPBIRC3TNF
SCHEMBL15424288 0.86 CNR1 (0.42) HTR6XIAPBIRC3
SCHEMBL12021182 0.86 DPP4 (0.43) CFDHTR6POLBDPP4DPP8
SCHEMBL12303271 0.85 HTR6 (0.39) HTR6XIAPBIRC3TNFMLX
SCHEMBL2454374 0.85 HTR6 (0.39) HTR6XIAPBIRC3TNFMLX
SCHEMBL1749822 0.85 CMA1 (0.45) CFDELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 — — US disclosed
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 — — US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 — — US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 — — US disclosed
US-9394249-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2016-07-19 — — US disclosed
US-20150307448-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-10-29 — — US disclosed
US-8802716-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-12 — — US disclosed
US-20130289075-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 — — US disclosed
US-20110294827-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-01 — — US disclosed
US-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 — — US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 — — US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 — — 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 (5 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 CFD 2187/4885HTR6 3420/4885XIAP 4/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 CFD 2237/4885HTR6 3484/4885XIAP 4/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 CFD 2187/4885HTR6 3420/4885XIAP 4/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 CFD 3459/4885HTR6 3444/4885XIAP 5/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 CFD 3459/4885HTR6 3444/4885XIAP 5/4885

“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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