SCHEMBL1550179

SCHEMBL1550179

c1ccc(CN2CCc3c(ccnc3-c3ccccn3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.52
CFTR P13569 6/20 0.45
MCL1 Q07820 1/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PNMT P11086 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
SCHEMBL1550570 0.86 FAAH (0.53) FAAHKMT2AKDM4EALDH1A1GLA
SCHEMBL1550754 0.81 P2RX7 (0.52) CFTRKMT2AKDM4EALDH1A1GLA
SCHEMBL1549789 0.81 FAAH (0.56) FAAHKMT2AKDM4EALDH1A1GLA
SCHEMBL1921426 0.79 FAAH (0.54) FAAHKMT2AKDM4EALDH1A1GLA
SCHEMBL30104821 0.79 FAAH (0.54) FAAHKMT2AMEN1NPC1RAB9A
SCHEMBL11982568 0.79 FAAH (0.54) FAAHKMT2AKDM4EALDH1A1GLA
SCHEMBL3932572 0.79 FAAH (0.54) FAAHKMT2AKDM4EALDH1A1GLA
SCHEMBL14272176 0.79 FAAH (0.54) FAAHKMT2AMEN1NPC1RAB9A
SCHEMBL14861236 0.76 MEN1 (0.58) FAAHKMT2AKDM4EGAAHPGD
SCHEMBL5775681 0.76 FAAH (0.51) FAAHKMT2AKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242124-B2 Diketopiperidine derivatives as HIV attachment inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-14 US disclosed
US-8242124-B2 Diketopiperidine derivatives as HIV attachment inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-14 US disclosed
US-8242124-B2 Diketopiperidine derivatives as HIV attachment inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-14 US disclosed
EP-2313408-B1 DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP disclosed
EP-2313408-B1 DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP disclosed
EP-2313408-A1 DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS Bristol-Myers Squibb Company (US) 2011-04-27 EP disclosed
US-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
WO-2009158396-A1 DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
WO-2009158396-A1 DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO 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-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors SAMHD1, CD4, DNPEP FAAH 2134/4885CFTR 3770/4885MCL1 673/4885

“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.