SCHEMBL10115933

SCHEMBL10115933

CCCc1noc(CCOC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ALOX15 P16050 1/20 0.33
APOBEC3A P31941 1/20 0.33

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
SCHEMBL16433684 0.87 TLR8 (0.37) HPGDKDM4EHSD17B10MAPTCHRM2
SCHEMBL12963497 0.84 KDM4E (0.46) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19272531 0.79 NPC1 (0.39) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31693533 0.79 CHRM2 (0.41) HPGDKDM4EHSD17B10MAPTALDH1A1
SCHEMBL10103780 0.79 CHRM2 (0.33) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL508620 0.79 ALDH1A1 (0.42) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3034540 0.78 KDM4E (0.44) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1786638 0.77 NPC1 (0.41) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15934086 0.75 MAPT (0.47) HPGDNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL10116209 0.74 MAPT (0.39) HPGDNPC1RAB9ASMN1; SMN2KDM4E

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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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 (2 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HPGD 2178/4885NPC1 3891/4885RAB9A 3699/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HPGD 2211/4885NPC1 4049/4885RAB9A 3810/4885

“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.