SCHEMBL2115700

SCHEMBL2115700

c1ccc2c(c1)CCCC2NN[C@@H]1CCCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 2/20 0.58
ALDH1A1 P00352 3/20 0.57
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PDPK1 O15530 1/20 0.55
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
ADRA1A P35348 2/20 0.54
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
TAS1R2 Q8TE23 2/20 0.53

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
SCHEMBL6810979 0.89 EPHX1 (0.62) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL27480299 0.89 PDPK1 (0.58) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL11748233 0.89 HTT (0.60) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL29565502 0.85 KMT2A (0.61) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL290853 0.85 KMT2A (0.61) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL8613632 0.84 HTT (0.56) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL15295177 0.84 LMNA (0.55) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL5270795 0.84 LMNA (0.55) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL61094 0.84 PDPK1 (0.79) HTTKMT2AMEN1LMNAALDH1A1
SCHEMBL61095 0.84 PDPK1 (0.79) HTTKMT2AMEN1LMNAALDH1A1

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
EP-2434889-B1 IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2016-03-09 EP disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 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 (2 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-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 HTT 786/4885KMT2A 4485/4885MEN1 2419/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 HTT 786/4885KMT2A 4485/4885MEN1 2419/4885

“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.