SCHEMBL4778041

SCHEMBL4778041

O=C(NC1CC1)c1n[nH]c2c1C[N]CC2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
WNT1 P04628 2/20 0.38
DYRK1A Q13627 2/20 0.38
SMYD3 Q9H7B4 2/20 0.38
HCAR2 Q8TDS4 2/20 0.36
KMT2A Q03164 1/20 0.36
CDK2 P24941 1/20 0.36
TSHR P16473 1/20 0.36
MAPK8 P45983 1/20 0.35
CRHR1 P34998 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
SCHEMBL4870401 0.73 NPC1 (0.55) NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4168050 0.71 NPC1 (0.53) NPC1RAB9AGAAHCAR2KMT2A
SCHEMBL30226131 0.70 NPC1 (0.51) NPC1RAB9AGAADYRK1AHCAR2
SCHEMBL4795587 0.67 NPC1 (0.48) NPC1RAB9AGAAKMT2A
SCHEMBL5876509 0.62 NPC1 (0.53) NPC1RAB9ASMN1; SMN2WNT1DYRK1A
SCHEMBL22482202 0.61 NPC1 (0.45) NPC1RAB9AGAASMN1; SMN2RXFP1
SCHEMBL22518533 0.60 HCAR2 (0.64) NPC1RAB9AGAASMN1; SMN2RXFP1
SCHEMBL22518545 0.60 HCAR2 (0.64) NPC1RAB9AGAASMN1; SMN2RXFP1
SCHEMBL4792038 0.59 NPC1 (0.61) NPC1RAB9AWNT1DYRK1ASMYD3
SCHEMBL18131065 0.59 TSHR (0.65) NPC1RAB9AGAASMN1; SMN2RXFP1

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-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A NPC1 1992/4885RAB9A 440/4885GAA 81/4885

“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.