SCHEMBL12988231

SCHEMBL12988231

CC(C)C1CCN(c2nccs2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
OGA O60502 1/20 0.39
PIK3CD O00329 1/20 0.39
CHI3L1 P36222 2/20 0.38
CHIT1 Q13231 1/20 0.38
CHI3L2 Q15782 1/20 0.38
CHIA Q9BZP6 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 2/20 0.38
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL12988889 0.90 HRH3 (0.51) HRH3HPGDHTTHSD17B10NPC1
SCHEMBL13035394 0.79 HPGD (0.46) HRH3HPGDHTTHSD17B10NPC1
SCHEMBL6405599 0.76 HPGD (0.46) HRH3HPGDHTTHSD17B10NPC1
SCHEMBL4525966 0.76 HPGD (0.49) HRH3HPGDHTTHSD17B10NPC1
SCHEMBL4525971 0.76 HPGD (0.49) HRH3HPGDHTTHSD17B10NPC1
SCHEMBL1266169 0.76 HPGD (0.46) HRH3HPGDHTTHSD17B10NPC1
SCHEMBL2861212 0.76 HPGD (0.46) HRH3HPGDHTTHSD17B10NPC1
SCHEMBL3060177 0.75 HPGD (0.51) HRH3HPGDHTTHSD17B10NPC1
SCHEMBL3155004 0.75 PRKCQ (0.43) HRH3HPGDHTTHSD17B10NPC1
SCHEMBL13634337 0.75 PIK3CD (0.48) HRH3HPGDHTTHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7858635-B2 Spiro compounds as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 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-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HRH3 143/4885HPGD 1197/4885HTT 3195/4885

“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.