SCHEMBL2910873

SCHEMBL2910873

O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/Br)CC2)c2cc(Cl)ccc21

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
PROKR1 Q8TCW9 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TACR3 P29371 1/20 0.34
XIAP P98170 3/20 0.33
BIRC2 Q13490 3/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PDE4B Q07343 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
STAT3 P40763 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10257965 1.00 NOTUM (0.43) NOTUMPROKR1HDAC1HDAC6TACR3
SCHEMBL2910875 1.00 NOTUM (0.43) NOTUMPROKR1HDAC1HDAC6TACR3
SCHEMBL13968936 0.90 NOTUM (0.42) NOTUMPROKR1HDAC1HDAC6TACR3
SCHEMBL13968960 0.88 NOTUM (0.41) NOTUMPROKR1HDAC1HDAC6TACR3
SCHEMBL12459707 0.87 NOTUM (0.40) NOTUMHDAC1HDAC6SMN1; SMN2MEN1
SCHEMBL13968931 0.87 NOTUM (0.42) NOTUMPROKR1HDAC1HDAC6GFER
SCHEMBL12459593 0.87 NOTUM (0.40) NOTUMPROKR1HDAC1HDAC6SMN1; SMN2
SCHEMBL13968984 0.87 NOTUM (0.40) NOTUMPROKR1HDAC1HDAC6TACR3
SCHEMBL12459579 0.87 NOTUM (0.40) NOTUMPROKR1HDAC1HDAC6SMN1; SMN2
SCHEMBL13968965 0.87 NOTUM (0.40) NOTUMPROKR1HDAC1HDAC6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9686990-B2 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-06-27 US disclosed
US-9686990-B2 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-06-27 US disclosed
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-9174987-B2 Spiroindolinepiperidine derivatives SYNGENTA LIMITED (DE) 2015-11-03 US disclosed
EP-1880996-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2014-12-24 EP disclosed
EP-1880996-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2014-12-24 EP disclosed
US-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-01-12 US disclosed
EP-1515969-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2010-08-25 EP disclosed
EP-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 EP disclosed
US-20060106045-A1 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2006-05-18 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 (3 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-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 NOTUM 3004/4885PROKR1 2795/4885HDAC1 620/4885
US-20060106045-A1 Spiroindolinepiperidine derivatives RECQL, OPRD1, NCAPD3 NOTUM 3120/4885PROKR1 2879/4885HDAC1 637/4885
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 NOTUM 3004/4885PROKR1 2795/4885HDAC1 620/4885

“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.