SCHEMBL3055798

SCHEMBL3055798

[CH]1CN2C(=N1)Sc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
MAOA P21397 1/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
BCHE P06276 6/20 0.37
KDM1A O60341 2/20 0.37
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
CHRM3 P20309 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
DRD3 P35462 3/20 0.36
HTR2B P41595 3/20 0.36
HTR2C P28335 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD1 P21728 2/20 0.36
HTR2A P28223 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36

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
SCHEMBL3504625 0.84 NPC1 (0.45) NPC1MAOACYP1A2CYP2D6BCHE
Hydrochloric Acid SCHEMBL11189563 0.82 NPC1 (0.44) NPC1MAOACYP1A2CYP2D6BCHE
SCHEMBL11205812 0.77 NPC1 (0.45) NPC1MAOABCHEKDM1AADRA2A
SCHEMBL3511564 0.72 IDO1 (0.63) NPC1MAOABCHESIGMAR1MEN1
SCHEMBL10029025 0.72 NPC1 (0.63) NPC1MAOACYP1A2CYP2D6BCHE
SCHEMBL10029022 0.72 NPC1 (0.63) NPC1MAOACYP1A2CYP2D6BCHE
SCHEMBL3055800 0.70 NPC1 (0.46) NPC1MAOABCHEKDM1AADRA2A
SCHEMBL25226606 0.69 NPC1 (1.00) NPC1MAOACYP1A2CYP2D6ADRA2B
SCHEMBL11007692 0.69 NPC1 (1.00) NPC1MAOACYP1A2CYP2D6ADRA2B
SCHEMBL31374399 0.69 NPC1 (1.00) NPC1MAOACYP1A2CYP2D6ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US claimed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP claimed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO claimed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 NPC1 2460/4885MAOA 208/4885CYP1A2 104/4885

“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.