SCHEMBL3060177

SCHEMBL3060177

CC1CCN(c2nccs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
CHI3L1 P36222 2/20 0.44
GRM5 P41594 1/20 0.44
GRM1 Q13255 1/20 0.44
CHIT1 Q13231 1/20 0.44
CHI3L2 Q15782 1/20 0.44
CHIA Q9BZP6 1/20 0.44
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL13035394 0.89 HPGD (0.46) HPGDNPC1RAB9AHSD17B10HTT
SCHEMBL4699308 0.82 HPGD (0.56) HPGDNPC1RAB9AHSD17B10HTT
SCHEMBL29102030 0.82
SCHEMBL2036931 0.81 HPGD (0.55) HPGDNPC1RAB9AHSD17B10HTT
SCHEMBL20243707 0.81 HPGD (0.51) HPGDNPC1RAB9AHSD17B10HTT
SCHEMBL28153054 0.81 HSD17B10 (0.54) HPGDNPC1RAB9AHSD17B10HTT
SCHEMBL27866750 0.81 HRH3 (0.54) HPGDNPC1RAB9AHSD17B10HTT
SCHEMBL12988889 0.81 HRH3 (0.51) HPGDNPC1RAB9AHSD17B10HTT
Hydrochloric Acid SCHEMBL1058151 0.80 HPGD (0.50) HPGDNPC1RAB9AHSD17B10HTT
SCHEMBL30359087 0.79 CHI3L1 (0.44) HPGDNPC1RAB9AHSD17B10HTT

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
WO-2007076070-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S HPGD 1691/4885NPC1 481/4885RAB9A 997/4885

“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.