SCHEMBL5048525

SCHEMBL5048525

O=C(O)N1C[C@H](OCc2ccccc2)C[C@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.54
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
AGTR2 P50052 2/20 0.44
ABCB1 P08183 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
MC4R P32245 2/20 0.41
MC3R P41968 2/20 0.41
MC1R Q01726 2/20 0.41
MMP9 P14780 1/20 0.40
BCHE P06276 1/20 0.39
EPHX2 P34913 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL26605025 1.00 BDKRB2 (0.54) BDKRB2CTSLCTSBCTSKAGTR2
SCHEMBL15798198 1.00 BDKRB2 (0.54) BDKRB2CTSLCTSBCTSKAGTR2
SCHEMBL2316672 1.00 BDKRB2 (0.54) BDKRB2CTSLCTSBCTSKAGTR2
SCHEMBL1162325 0.88 BDKRB2 (0.43) BDKRB2MC4RMC3RMC1REPHX2
SCHEMBL29385583 0.85 BDKRB2 (0.51) BDKRB2CTSLCTSBCTSKAGTR2
SCHEMBL28590950 0.84 ALDH1A1 (0.41) BDKRB2SPHK2ALDH1A1
SCHEMBL71548 0.84 ABCB1 (0.58) BDKRB2ABCB1
SCHEMBL30421047 0.84 ABCB1 (0.58) BDKRB2ABCB1
SCHEMBL3855580 0.84 ABCB1 (0.58) BDKRB2ABCB1
SCHEMBL28995867 0.84 ABCB1 (0.58) BDKRB2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161656-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES Kinnate Biopharma Inc. (US) 2023-04-12 EP disclosed
US-20230078839-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KHORA SPV 1, LLC 2023-03-16 US disclosed
US-11345681-B1 Inhibitors of fibroblast growth factor receptor kinases KINNATE BIOPHARMA INC. (US) 2022-05-31 US disclosed
US-9382258-B2 Agents for treating pain and uses thereof ABBVIE INC. (US) 2016-07-05 US disclosed
EP-2931727-A1 DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN Abbvie Inc. (US) 2015-10-21 EP disclosed
US-20150225409-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ABBVIE INC. 2015-08-13 US disclosed
US-9029361-B2 Agents for treating pain and uses thereof ABBVIE INC. (US) 2015-05-12 US disclosed
WO-2014093337-A1 DIAZEPINE DERIVATIVES USEFUL AS CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN ABBVIE, INC. (US) 2014-06-19 WO disclosed
US-20140171423-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ABBVIE INC. (US) 2014-06-19 US disclosed
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 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 (5 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-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S BDKRB2 81/4885CTSL 612/4885CTSB 436/4885
US-20140171423-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ACHE, MPO, CALCA BDKRB2 195/4885CTSL 1283/4885CTSB 454/4885
US-20150225409-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ACHE, MPO, CALCA BDKRB2 195/4885CTSL 1283/4885CTSB 454/4885
US-11345681-B1 Inhibitors of fibroblast growth factor receptor kinases FGFR1, FGFR2, FGFR3 BDKRB2 715/4885CTSL 1575/4885CTSB 1207/4885
US-20230078839-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES FGFR1, FGFR2, FGFR3 BDKRB2 715/4885CTSL 1575/4885CTSB 1207/4885

“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.