SCHEMBL2115752

SCHEMBL2115752

COC(=O)C1CN(C(=O)OCc2ccccc2)C2CCNC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
CPB1 P15086 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4B Q07343 1/20 0.44
AGTR2 P50052 2/20 0.44
PREP P48147 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
FKBP1A P62942 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43

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
SCHEMBL2622088 1.00 HTR2C (0.47) HTR2CCPB1NPC1RAB9ASMN1; SMN2
SCHEMBL2622143 0.86 HSD17B10 (0.48) HTR2CNPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL2114973 0.86 HSD17B10 (0.48) HTR2CNPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL928649 0.81 HTR2C (0.50) HTR2CNPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL14040650 0.79 CPB1 (0.48) HTR2CCPB1NPC1RAB9ASMN1; SMN2
SCHEMBL15218168 0.79 HTR2C (0.49) HTR2CNPC1RAB9ASMN1; SMN2PREP
SCHEMBL9611511 0.78 BCHE (0.46) HTR2CSMN1; SMN2AGTR2POLBNPSR1
SCHEMBL2300448 0.76 POLB (0.52) HTR2CNPC1RAB9ASMN1; SMN2PREP
SCHEMBL1864842 0.76 POLB (0.52) HTR2CNPC1RAB9ASMN1; SMN2PREP
SCHEMBL7802196 0.76 POLB (0.52) HTR2CNPC1RAB9ASMN1; SMN2PREP

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 HTR2C 4784/4885CPB1 703/4885NPC1 757/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 HTR2C 4784/4885CPB1 703/4885NPC1 757/4885

“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.