SCHEMBL4970899

SCHEMBL4970899

O=C(N[C@H]1CCC[N]C1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.55
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46

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
SCHEMBL5653492 1.00 GRM5 (0.55) GRM5NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5654183 0.85 NPC1 (0.54) GRM5NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5654181 0.85 NPC1 (0.54) GRM5NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2316588 0.81 NPC1 (0.68) GRM5NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL161227 0.81 NPC1 (0.72) GRM5NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4138971 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23594174 0.80 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8396558 0.80 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24673320 0.80 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL307051 0.80 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US claimed
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
WO-2007098214-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-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B GRM5 602/4885NPC1 1686/4885RAB9A 237/4885

“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.