SCHEMBL3922871

SCHEMBL3922871

O=C(O)c1cc(C2CCCCC2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
GLA P06280 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KMO O15229 3/20 0.55
ACMSD Q8TDX5 2/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM5A P29375 3/20 0.49
KDM5B Q9UGL1 3/20 0.49
ASPH Q12797 2/20 0.49
KDM8 Q8N371 2/20 0.49
KDM4A O75164 2/20 0.49
KDM4C Q9H3R0 2/20 0.49
KDM6B O15054 1/20 0.49
TET3 O43151 1/20 0.49
BBOX1 O75936 1/20 0.49

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
SCHEMBL30281319 0.91 KDM4E (0.53) KDM4ESMN1; SMN2L3MBTL1GLAHTT
SCHEMBL21044780 0.91 KDM4E (0.53) KDM4ESMN1; SMN2L3MBTL1GLAHTT
SCHEMBL19138214 0.84 QDPR (0.46) KDM4ESMN1; SMN2L3MBTL1GLAHTT
SCHEMBL31705813 0.84 KDM4E (0.46) KDM4ESMN1; SMN2L3MBTL1GLAHTT
SCHEMBL5214823 0.79 HIF1A (0.57) KDM4ESMN1; SMN2L3MBTL1GLAHTT
SCHEMBL31706149 0.78 TLR9 (0.48) KDM4ESMN1; SMN2L3MBTL1GLAHTT
SCHEMBL14876091 0.76 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2L3MBTL1GLAHTT
SCHEMBL31706609 0.76 TLR9 (0.45) KDM4ESMN1; SMN2ALDH1A1KDM5AKDM5B
SCHEMBL27999883 0.76 OPRM1 (0.45)
SCHEMBL22402404 0.75 CCNT1 (0.37) KDM4ESMN1; SMN2L3MBTL1GLAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541466-B2 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2009-06-02 US disclosed
US-20050176761-A1 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2005-08-11 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 (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-20050176761-A1 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases CFTR, NPC1L1, GOLT1B KDM4E 4494/4885SMN1; SMN2 2673/4885L3MBTL1 3197/4885

“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.