SCHEMBL2489326

SCHEMBL2489326

CCOCCn1c(CN[C@@H](C)C(N)=O)nc2cc(C(F)(F)F)c(-c3ccc(F)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
FPR2 P25090 5/20 0.33
GRM2 Q14416 5/20 0.33
HDAC11 Q96DB2 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGES O14684 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
SCHEMBL2492901 0.90 SCN9A (0.41) SCN9AMAOAMAOBALDH1A1FPR2
SCHEMBL15048560 0.89 SCN9A (0.40) SCN9AMAOAMAOBALDH1A1FPR2
SCHEMBL2488940 0.89 SCN9A (0.40) SCN9AMAOAMAOBALDH1A1FPR2
SCHEMBL2489329 0.88 HDAC8 (0.38) ALDH1A1L3MBTL1GRM2HDAC11PTGES
SCHEMBL15060753 0.86 SCN9A (0.42) SCN9AMAOAMAOBALDH1A1FPR2
SCHEMBL12209795 0.85 SCN9A (0.44) SCN9AALDH1A1FPR2PTGES
SCHEMBL15060822 0.84 SMN1; SMN2 (0.38) SCN9AMAOAMAOBALDH1A1L3MBTL1
SCHEMBL13273948 0.84 ALDH1A1 (0.38) SCN9AMAOAMAOBALDH1A1FPR2
SCHEMBL15060823 0.83 ALDH1A1 (0.43) SCN9AMAOAMAOBALDH1A1
SCHEMBL13274184 0.83 ALDH1A1 (0.36) SCN9AMAOAMAOBALDH1A1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380881-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-01-25 EP disclosed
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 US disclosed
EP-2380881-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-26 EP 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-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 SCN9A 24/4885MAOA 802/4885MAOB 452/4885
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 SCN9A 24/4885MAOA 802/4885MAOB 452/4885

“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.