SCHEMBL12299565

SCHEMBL12299565

C[C@@H](OC(C)(C)C)[C@H](N)C(=O)N1CC[C@@H]2[C@H]1[C@@H](c1c[nH]c3cc(F)ccc13)CN2C(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
KCNH2 Q12809 1/20 0.35
ELANE P08246 2/20 0.34
F2 P00734 1/20 0.34
CTSG P08311 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL2440599 1.00 DRD2 (0.35) DRD2HTR2AHTR7KCNH2ELANE
SCHEMBL12329398 0.90 PYGL (0.35) DRD2HTR2AHTR7KCNH2ELANE
SCHEMBL2441780 0.88 CMA1 (0.39)
SCHEMBL12299562 0.88 CMA1 (0.39)
SCHEMBL2622108 0.86 ELANE (0.39) ELANEF2CTSG
SCHEMBL9611410 0.86 ELANE (0.39) ELANEF2CTSG
SCHEMBL2622092 0.86 ELANE (0.39) ELANEF2CTSG
SCHEMBL12299529 0.86 ELANE (0.39) ELANEF2CTSG
SCHEMBL12299566 0.85 TGM2 (0.33) DRD2HTR2AHTR7KCNH2
SCHEMBL2441314 0.85 TGM2 (0.33) DRD2HTR2AHTR7KCNH2

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-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 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 (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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 DRD2 4857/4885HTR2A 4101/4885HTR7 3482/4885

“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.