SCHEMBL1045480

SCHEMBL1045480

Nc1ccc(N2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.58
L3MBTL3 Q96JM7 2/20 0.58
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GFER P55789 4/20 0.53

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
SCHEMBL5743020 0.96 L3MBTL1 (0.58) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E
SCHEMBL1044237 0.95 MAPT (0.58) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E
SCHEMBL1047477 0.92 MAPT (0.57) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16764224 0.91 MAPT (0.57) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E
SCHEMBL22466041 0.89 L3MBTL1 (0.59) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E
SCHEMBL16195572 0.86 MAPT (0.50) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E
SCHEMBL2236451 0.85 L3MBTL3 (0.81) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E
SCHEMBL16447995 0.85 MAPT (0.50) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E
SCHEMBL12005958 0.84 HRH3 (0.52) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E
SCHEMBL17840369 0.84 ALDH1A1 (0.58) L3MBTL1L3MBTL3MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
EP-2086540-B8 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-03-02 EP disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 EP disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 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-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases COL2A1, MMP1, COL1A1 L3MBTL1 4723/4885L3MBTL3 4827/4885MAPT 1242/4885

“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.