SCHEMBL14736672

SCHEMBL14736672

NCCn1cnc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 1/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HPGDS O60760 1/20 0.36
MAPK1 P28482 1/20 0.35
DGAT1 O75907 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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 SCHEMBL14736481 0.98 HDAC1 (0.46) HDAC1HDAC6RAB9ANPC1NFKB1
SCHEMBL8656324 0.90 HDAC1 (0.45) HDAC1HDAC6PDE10ADGAT1
Hydrochloric Acid SCHEMBL8093008 0.88 HDAC1 (0.44) HDAC1HDAC6PDE10A
SCHEMBL27367368 0.79 HDAC1 (0.45) HDAC1HDAC6RAB9ANPC1PDE10A
SCHEMBL11604895 0.78 HDAC1 (0.53) HDAC1HDAC6RAB9ASMN1; SMN2PDE10A
SCHEMBL8830140 0.78 HDAC1 (0.49) HDAC1HDAC6RAB9ANPC1NFKB1
SCHEMBL21872254 0.78 HDAC1 (0.49) HDAC1HDAC6RAB9ANPC1NFKB1
SCHEMBL14736671 0.75 HDAC1 (0.53) HDAC1HDAC6PDE10A
SCHEMBL14736695 0.74 PDE10A (0.54) HDAC1HDAC6PDE10AHPGDSDGAT1
SCHEMBL17927906 0.74 HDAC1 (0.56) HDAC1HDAC6PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US 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 HDAC1 125/4885HDAC6 182/4885RAB9A 109/4885

“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.