SCHEMBL2492901

SCHEMBL2492901

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.41
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FPR2 P25090 6/20 0.35
GRM2 Q14416 1/20 0.34
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33

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
SCHEMBL15060822 0.94 SMN1; SMN2 (0.38) SCN9AMAOBMAOAALDH1A1
SCHEMBL13273948 0.93 ALDH1A1 (0.38) SCN9AMAOBMAOAALDH1A1FPR2
SCHEMBL15060823 0.93 ALDH1A1 (0.43) SCN9AMAOBMAOAALDH1A1
SCHEMBL15048560 0.92 SCN9A (0.40) SCN9AMAOBMAOAALDH1A1FPR2
SCHEMBL13274184 0.92 ALDH1A1 (0.36) SCN9AMAOBMAOAALDH1A1
SCHEMBL2488940 0.92 SCN9A (0.40) SCN9AMAOBMAOAALDH1A1FPR2
SCHEMBL15060825 0.91 ALDH1A1 (0.35) SCN9AMAOBMAOAALDH1A1
SCHEMBL13274172 0.91 ALDH1A1 (0.35) SCN9AMAOBMAOAALDH1A1
SCHEMBL2489326 0.90 SCN9A (0.39) SCN9AMAOBMAOAALDH1A1FPR2
SCHEMBL15060753 0.89 SCN9A (0.42) SCN9AMAOBMAOAALDH1A1FPR2

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

“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.