SCHEMBL1649233

SCHEMBL1649233

COC(=O)c1cc(C(=O)N2CCN(C)CC2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
USP2 O75604 1/20 0.56
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
AVPR2 P30518 2/20 0.48
AVPR1A P37288 2/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL1647491 0.91 NPC1 (0.57) HPGDHSD17B10NPC1ALDH1A1SMN1; SMN2
SCHEMBL1646608 0.90 HPGD (0.56) HPGDHSD17B10NPC1ALDH1A1SMN1; SMN2
SCHEMBL10322800 0.90 HPGD (0.59) HPGDUSP2HSD17B10NPC1ALDH1A1
SCHEMBL1647420 0.88 HSD17B10 (0.70) HPGDHSD17B10NPC1ALDH1A1SMN1; SMN2
SCHEMBL1646582 0.81 RXRA (0.56) HPGDNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL6918899 0.80 LRRK2 (0.75)
SCHEMBL131382 0.80 MAOB (0.55) HPGDNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7760917 0.80 GAA (0.58) HPGDUSP2NPC1ALDH1A1SMN1; SMN2
SCHEMBL1647813 0.79 ALDH1A1 (0.61) HPGDHSD17B10NPC1ALDH1A1SMN1; SMN2
SCHEMBL1647823 0.79 MEN1 (0.54) ALDH1A1KMT2AMEN1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 HPGD 3273/4885USP2 1995/4885HSD17B10 3326/4885

“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.