SCHEMBL15060822

SCHEMBL15060822

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 3/20 0.38
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
SCN9A Q15858 3/20 0.35
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
TSHR P16473 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 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 0.94 SCN9A (0.41) ALDH1A1SCN9AMAOAMAOB
SCHEMBL13273948 0.92 ALDH1A1 (0.38) ALDH1A1SCN9ACYP1A2CYP2C9CYP2C19
SCHEMBL15060823 0.92 ALDH1A1 (0.43) SMN1; SMN2LMNARAB9AALDH1A1SCN9A
SCHEMBL15060825 0.92 ALDH1A1 (0.35) SMN1; SMN2LMNARAB9AALDH1A1JAK2
SCHEMBL13274172 0.92 ALDH1A1 (0.35) SMN1; SMN2LMNARAB9AALDH1A1SCN9A
SCHEMBL13274184 0.92 ALDH1A1 (0.36) SMN1; SMN2LMNARAB9AALDH1A1SCN9A
SCHEMBL13274186 0.91 SMN1; SMN2 (0.39) SMN1; SMN2LMNARAB9AALDH1A1JAK2
SCHEMBL15060821 0.90 SMN1; SMN2 (0.38) SMN1; SMN2LMNARAB9AALDH1A1JAK2
SCHEMBL12210906 0.88 SMN1; SMN2 (0.37) SMN1; SMN2LMNARAB9AALDH1A1JAK2
SCHEMBL15048560 0.88 SCN9A (0.40) ALDH1A1SCN9AMAOAMAOBHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SMN1; SMN2 81/4885LMNA 2361/4885RAB9A 974/4885
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 SMN1; SMN2 81/4885LMNA 2361/4885RAB9A 974/4885

“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.