SCHEMBL883393

SCHEMBL883393

BrCc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNK2 Q07912 3/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
ACP1 P24666 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
KCNH2 Q12809 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24041815 0.88 DHFR (0.40) DHFRMEN1KMT2ATNK2HSD11B1
SCHEMBL4381658 0.87 DHFR (0.45) DHFRMEN1KMT2ATNK2HSD11B1
SCHEMBL3500438 0.86 TNK2 (0.44) DHFRMEN1KMT2ATNK2HSD11B1
SCHEMBL7736919 0.85 MEN1 (0.40) DHFRMEN1KMT2ATNK2HSD11B1
SCHEMBL5702480 0.84 DDB1 (0.41) DHFRMEN1KMT2ATNK2HSD11B1
SCHEMBL3139148 0.84 DHFR (0.46) DHFRMEN1KMT2ATNK2HSD11B1
SCHEMBL5148071 0.84 DHFR (0.44) DHFRMEN1KMT2ATNK2HSD11B1
SCHEMBL862862 0.84 MEN1 (0.43) DHFRMEN1KMT2ATNK2HSD11B1
SCHEMBL7774639 0.84 DDB1 (0.41) DHFRMEN1KMT2ATNK2HSD11B1
SCHEMBL3394710 0.83 MEN1 (0.42) DHFRMEN1KMT2ATNK2HSD11B1

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-2619212-B1 BUPRENORPHINE ANALOGS AS OPIOID RECEPTOR AGONISTS AND/OR ANTAGONISTS PURDUE PHARMA LP (US) 2016-01-06 EP disclosed
US-9221831-B2 Buprenorphine analogs PURDUE PHARMA, L.P. (US) 2015-12-29 US disclosed
US-20140057931-A1 BUPRENORPHINE ANALOGS PURDUE PHARMA L.P. (US) 2014-02-27 US disclosed
WO-2012038813-A1 BUPRENORPHINE ANALOGS PURDUE PHARMA L.P. (US) 2012-03-29 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-20140057931-A1 BUPRENORPHINE ANALOGS OPRL1, OPRD1, OPRK1 DHFR 2680/4885MEN1 4742/4885KMT2A 1824/4885

“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.