SCHEMBL3707639

SCHEMBL3707639

O=C(O)NCC1CCOC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
NAMPT P43490 14/20 0.41
GABRA5 P31644 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL9956855 0.88 CYP2D6 (0.53) CYP2D6NAMPTTDP1NPC1RAB9A
SCHEMBL16039173 0.88 CYP2D6 (0.44) CYP2D6NAMPTGABRA5TDP1NPC1
SCHEMBL21814086 0.83
SCHEMBL18936072 0.82 NAMPT (0.40) NAMPTTDP1
SCHEMBL15461396 0.82 NAMPT (0.40) NAMPTTDP1
SCHEMBL18028777 0.82 TDP1 (0.61) NAMPTTDP1
SCHEMBL31678251 0.82 NAMPT (0.40) NAMPTTDP1
SCHEMBL5315341 0.82 HTR4 (0.42) CYP2D6NAMPT
SCHEMBL5317186 0.82 HTR4 (0.42) CYP2D6NAMPT
SCHEMBL19652072 0.79 NAMPT (0.39) NAMPTTDP1NPC1RAB9A

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-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
US-10786492-B2 Formylated N-heterocyclic derivatives as FGFR4 inhibitors NOVARTIS AG (CH) 2020-09-29 US disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
US-20190105309-A1 Formylated N-heterocyclic derivatives as FGFR4 inhibitors. NOVARTIS PHARMA AG (CH) 2019-04-11 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 CYP2D6 4653/4885NAMPT 1/4885GABRA5 3702/4885
US-20190105309-A1 Formylated N-heterocyclic derivatives as FGFR4 inhibitors. FGFR4, FGFR1, FGFR3 CYP2D6 1839/4885NAMPT 115/4885GABRA5 1748/4885
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 CYP2D6 2911/4885NAMPT 1091/4885GABRA5 764/4885
US-10786492-B2 Formylated N-heterocyclic derivatives as FGFR4 inhibitors FGFR4, FGFR1, FGFR3 CYP2D6 1942/4885NAMPT 138/4885GABRA5 2086/4885

“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.