SCHEMBL1689982

SCHEMBL1689982

O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NOTUM Q6P988 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.44
P2RX4 Q99571 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
GAA P10253 1/20 0.41
HTR7 P34969 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL14366457 0.85 HDAC1 (0.57) HDAC1HDAC6NOTUMHTTALDH1A1
SCHEMBL10253595 0.79 HDAC1 (0.51) HDAC1HDAC6NOTUML3MBTL1BCHE
SCHEMBL1689812 0.77 HDAC1 (0.53) HDAC1HDAC6LMNASMN1; SMN2MAPK1
SCHEMBL1689816 0.77 HDAC1 (0.53) HDAC1HDAC6LMNASMN1; SMN2MAPK1
SCHEMBL30232786 0.76 NOTUM (0.63) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL1572534 0.76 NOTUM (0.63) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL19033805 0.76 HDAC1 (0.47) HDAC1HDAC6NOTUMLMNASMN1; SMN2
SCHEMBL655024 0.75 NOTUM (0.80) HDAC1HDAC6NOTUMSMN1; SMN2ALDH1A1
SCHEMBL5579046 0.75 RXFP1 (0.57) LMNASMN1; SMN2MAPK1HTTALDH1A1
Hydrochloric Acid SCHEMBL2257588 0.74 NOTUM (0.78) HDAC1HDAC6NOTUMSMN1; SMN2ALDH1A1

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
EP-1515969-B2 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2017-10-11 EP 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-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
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 HDAC1 620/4885HDAC6 117/4885NOTUM 3004/4885
US-20060106045-A1 Spiroindolinepiperidine derivatives RECQL, OPRD1, NCAPD3 HDAC1 637/4885HDAC6 102/4885NOTUM 3120/4885
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 HDAC1 620/4885HDAC6 117/4885NOTUM 3004/4885

“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.