SCHEMBL10322800

SCHEMBL10322800

CN1CCN(C(=O)c2ccc(OCc3ccccc3)c(C(=O)O)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
USP2 O75604 1/20 0.59
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 3/20 0.56
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FOLH1 Q04609 1/20 0.52
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
TSHR P16473 1/20 0.51
AVPR2 P30518 2/20 0.51
AVPR1A P37288 2/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PARP1 P09874 1/20 0.48

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
SCHEMBL1649233 0.90 HPGD (0.56) HPGDUSP2HSD17B10NPC1ALDH1A1
SCHEMBL1647813 0.89 ALDH1A1 (0.61) HPGDHSD17B10NPC1ALDH1A1RAB9A
SCHEMBL1647511 0.88 ALDH1A1 (0.63) HPGDHSD17B10NPC1ALDH1A1RAB9A
SCHEMBL1647854 0.86 HSD17B10 (0.72) HPGDHSD17B10NPC1ALDH1A1RAB9A
SCHEMBL7760917 0.83 GAA (0.58) HPGDUSP2NPC1ALDH1A1RAB9A
SCHEMBL167115 0.82 HPGD (0.54) HPGDUSP2HSD17B10NPC1ALDH1A1
SCHEMBL1647466 0.81 LRRK2 (0.66) USP2FOLH1MAPT
SCHEMBL6918899 0.81 LRRK2 (0.75)
SCHEMBL1647491 0.81 NPC1 (0.57) HPGDHSD17B10NPC1ALDH1A1RAB9A
SCHEMBL1646608 0.80 HPGD (0.56) HPGDHSD17B10NPC1ALDH1A1RAB9A

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 3 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
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 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-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.