SCHEMBL4772813

SCHEMBL4772813

O=C(NC1CC1)c1nsc2[c]cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMYD3 Q9H7B4 1/20 0.41
HIF1A Q16665 1/20 0.40
KAT2B Q92831 1/20 0.40
ELANE P08246 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
WNT1 P04628 2/20 0.37
DYRK1A Q13627 2/20 0.37
USP30 Q70CQ3 1/20 0.37
HTR1A P08908 1/20 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
SCHEMBL4769518 0.73 NPC1 (0.39) NPC1RAB9ASMYD3HIF1AKAT2B
SCHEMBL4772974 0.73 RAB9A (0.39) NPC1RAB9ASMYD3HIF1AWNT1
SCHEMBL1990596 0.65 NPC1 (0.49) NPC1RAB9ASMYD3ALDH1A1MEN1
SCHEMBL23039134 0.65 P2RX7 (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL18706364 0.65 L3MBTL1 (0.47) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL2086888 0.63 ALDH1A1 (0.63) ALDH1A1CYP3A4KDM4EMAPK1
SCHEMBL28177793 0.63 SMYD3 (0.43) NPC1RAB9ASMYD3ELANEALDH1A1
SCHEMBL12615320 0.63 SMYD3 (0.46) NPC1RAB9ASMYD3ALDH1A1MEN1
SCHEMBL30068489 0.62 NPC1 (0.80) NPC1RAB9ASMYD3ALDH1A1KDM4E
SCHEMBL23039037 0.62 TAS1R3 (0.51) NPC1RAB9AALDH1A1HTTKDM4E

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 440/4885SMYD3 2512/4885

“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.