SCHEMBL11255826

SCHEMBL11255826

O=C1c2ccccc2CN1c1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.74
RAB9A P51151 4/20 0.74
CYP11B2 P19099 3/20 0.69
PKM P14618 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
TP53 P04637 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
NFKB1 P19838 1/20 0.54
DRD1 P21728 1/20 0.54
HTT P42858 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
Bromide SCHEMBL5310024 0.98 NPC1 (0.72) NPC1RAB9ACYP11B2PKMSMN1; SMN2
SCHEMBL29874794 0.85 NPC1 (1.00) NPC1RAB9ACYP11B2PKMSMN1; SMN2
SCHEMBL4188221 0.85 NPC1 (1.00) NPC1RAB9ACYP11B2PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL31529590 0.84 NPC1 (0.96) NPC1RAB9ACYP11B2PKMSMN1; SMN2
SCHEMBL26705002 0.83 BCAT2 (0.61) NPC1RAB9ACYP11B2PKMKMT2A
SCHEMBL14352257 0.81 CYP11B2 (0.72) NPC1RAB9ACYP11B2PKMSMN1; SMN2
SCHEMBL14542411 0.79 NPC1 (0.74) NPC1RAB9ACYP11B2PKMSMN1; SMN2
SCHEMBL4150687 0.79 NPC1 (0.74) NPC1RAB9ACYP11B2PKMSMN1; SMN2
SCHEMBL17131794 0.79 NPC1 (0.74) NPC1RAB9ACYP11B2PKMSMN1; SMN2
SCHEMBL3290802 0.79 NPC1 (0.74) NPC1RAB9ACYP11B2PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-08-09 US disclosed
US-9938269-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2018-04-10 US disclosed
EP-2726479-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-05-07 EP disclosed
US-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT LABORATORIES (US) 2013-01-03 US disclosed
WO-2013000994-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-01-03 WO disclosed
US-4309541-A CHEMICAL INTERMEDIATES TO QUINAZOLINE HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4255429-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
EP-0009465-A1 N-(1-(4-amino-2-quinazolinyl)-3 or 4-piperidyl lactames, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-04-02 EP 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-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A NPC1 2354/4885RAB9A 631/4885CYP11B2 325/4885
US-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A NPC1 2354/4885RAB9A 631/4885CYP11B2 325/4885

“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.