SCHEMBL6495236

SCHEMBL6495236

O=C(NC1CC2CNC1C2)c1ccc(-c2ccccc2F)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 5/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 3/20 0.44
MGAM O43451 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
SLC9A1 P19634 1/20 0.43

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
SCHEMBL6486252 0.88 RAB9A (0.41) RAB9ASMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL6489007 0.87 SLC9A1 (0.44) RAB9ASMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL6496767 0.87 ALDH1A1 (0.49) RAB9ASMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL6488527 0.87 RAB9A (0.55) RAB9ASMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL6487086 0.86 ALDH1A1 (0.51) RAB9ASMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL6488167 0.84 S1PR4 (0.43) RAB9ASMN1; SMN2KDM4EMAPK1MAPT
SCHEMBL6489150 0.84 ALDH1A1 (0.39) RAB9ASMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL6488989 0.83 ALDH1A1 (0.47) RAB9ASMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL6489260 0.82 ALDH1A1 (0.49) RAB9ASMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL6487825 0.82 FAAH (0.46) GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 RAB9A 1437/4885SMN1; SMN2 1751/4885KDM4E 2799/4885

“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.