SCHEMBL6923048

SCHEMBL6923048

CC1(C)CCc2nc3cc(-c4ccccn4)cc(Cl)c3c(=O)n2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE3A Q14432 1/20 0.40
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TGFBR1 P36897 5/20 0.34
P2RX7 Q99572 1/20 0.33
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
F9 P00740 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL6921503 0.89 TGFBR1 (0.36) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL14238859 0.84 PDE5A (0.41) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL6922413 0.83 NPC1 (0.43) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL6922660 0.83 AXL (0.35) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL14239413 0.82 NPC1 (0.42) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL14239415 0.81 RAB9A (0.41) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL9994899 0.81 GRM5 (0.35) NPC1RAB9ATP53ALDH1A1LMNA
SCHEMBL12040552 0.80 SPR (0.34) NPC1RAB9AF9CYP3A4
SCHEMBL12059610 0.80 MAPT (0.41) PDE5APDE1APDE1BPDE4DPDE7A
SCHEMBL14239943 0.79 RAB9A (0.42) NPC1RAB9ATP53ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 PDE5A 1340/4885PDE1A 530/4885PDE1B 536/4885

“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.