SCHEMBL17608960

SCHEMBL17608960

C=CCC1(C(=O)OCC)CCN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
ELANE P08246 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAM9 Q13443 1/20 0.40
F13A1 P00488 2/20 0.40
TGM2 P21980 2/20 0.40
TGM1 P22735 2/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL17608821 0.91 KDM1A (0.44) KDM1ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5764872 0.80 JAK2 (0.41) ELANENPC1RAB9AMEN1KMT2A
SCHEMBL5768278 0.80 JAK2 (0.41) ELANENPC1RAB9AMEN1KMT2A
SCHEMBL5764582 0.80 JAK2 (0.41) ELANENPC1RAB9AMEN1KMT2A
SCHEMBL5767036 0.79 MEN1 (0.34) SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL5766992 0.79 MEN1 (0.34) SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL15170763 0.77 SMN1; SMN2 (0.47) KDM1ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17608885 0.77 ELANE (0.44) ELANENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3975238 0.77 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14838543 0.76 SMN1; SMN2 (0.55) KDM1ANPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
EP-3201195-A1 SPIROCYCLIC DERIVATIVES Chronos Therapeutics Limited (GB) 2017-08-09 EP disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO 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 (1 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-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 KDM1A 4525/4885ELANE 3267/4885NPC1 31/4885

“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.