SCHEMBL14736868

SCHEMBL14736868

CC(C)(N)Cc1nc(-c2ccccc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
RAB9A P51151 9/20 0.55
NPC1 O15118 7/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
TSHR P16473 5/20 0.53
MAPK1 P28482 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR1A P08908 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MAPT P10636 3/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
Hydrochloric Acid SCHEMBL14736041 0.98 NOTUM (0.57) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL15471161 0.87 RAB9A (0.63) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL1609985 0.84 NOTUM (0.55) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL27609469 0.84 NOTUM (0.58) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL3616245 0.83 NOTUM (0.58) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL12477652 0.78 NOTUM (0.69) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL91541 0.78 NOTUM (0.68) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL14736589 0.77 PDE10A (0.56) NOTUMRAB9ANPC1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL5656477 0.76 NOTUM (0.67) NOTUMRAB9ANPC1L3MBTL1CYP1A2
SCHEMBL15379098 0.75 RAB9A (0.54) NOTUMRAB9ANPC1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP claimed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP claimed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A NOTUM 2230/4885RAB9A 109/4885NPC1 2474/4885

“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.