SCHEMBL12021482

SCHEMBL12021482

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

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.44
▸ CFD P00746 2/20 0.42
▸ POLB P06746 1/20 0.40

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
SCHEMBL12021182 0.90 DPP4 (0.43) HTR6CFDPOLB
SCHEMBL12021195 0.86 CFD (0.41) HTR6CFDPOLB
SCHEMBL14001891 0.84 CFD (0.39) HTR6CFDPOLB
SCHEMBL14001894 0.84 CFD (0.39) HTR6CFDPOLB
SCHEMBL12021498 0.84 CFD (0.39) HTR6CFDPOLB
SCHEMBL1749822 0.82 CMA1 (0.45) CFD
SCHEMBL1751264 0.80 EPHX1 (0.48) HTR6CFDPOLB
SCHEMBL16219545 0.79 HTR6 (0.39) HTR6
SCHEMBL12529600 0.79 CMA1 (0.42) CFD
SCHEMBL12021133 0.77 ALDH1A1 (0.39) —

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 7 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 HTR6 3420/4885CFD 2187/4885POLB 3390/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 HTR6 3484/4885CFD 2237/4885POLB 2789/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 HTR6 3420/4885CFD 2187/4885POLB 3390/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 HTR6 3444/4885CFD 3459/4885POLB 3308/4885

“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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