SCHEMBL2622089

SCHEMBL2622089

CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](C[N+](=O)[O-])c1c[nH]c2cc(F)ccc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TDO2 P48775 6/20 0.31
BRD3 Q15059 2/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
KCNH2 Q12809 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
TACR1 P25103 1/20 0.30
BACE1 P56817 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SLC6A4 P31645 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL2622084 1.00 MEN1 (0.34) MEN1POLBKMT2ATDO2BRD3
SCHEMBL2622086 0.89 TDO2 (0.34) TDO2BRD3DRD2HTR2AHTR7
SCHEMBL2443811 0.89 MAPT (0.39) MEN1POLBKMT2AMAPTNPSR1
SCHEMBL2441526 0.89 MAPT (0.39) MEN1POLBKMT2AMAPTNPSR1
SCHEMBL12299655 0.84 MEN1 (0.33) MEN1POLBKMT2ABACE1MAPT
SCHEMBL2441112 0.84 MEN1 (0.33) MEN1POLBKMT2ABACE1MAPT
SCHEMBL2117903 0.81 TGM2 (0.41) MEN1KMT2ABACE1MAPTNPSR1
SCHEMBL12299472 0.78 SSTR2 (0.37) MEN1KMT2AHTR2A
SCHEMBL2442750 0.78 SSTR2 (0.37) MEN1KMT2AHTR2A
SCHEMBL2437115 0.76 MAPT (0.39) MEN1POLBKMT2AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US 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-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
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-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 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 (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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 MEN1 2419/4885POLB 3851/4885KMT2A 4485/4885
US-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 MEN1 2419/4885POLB 3851/4885KMT2A 4485/4885
US-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 MEN1 2419/4885POLB 3851/4885KMT2A 4485/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 MEN1 2419/4885POLB 3851/4885KMT2A 4485/4885

“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.