SCHEMBL6496455

SCHEMBL6496455

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(-c2ccccc2F)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 2/20 0.51
CHRNA7 P36544 5/20 0.48
NPC1 O15118 4/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE4B Q07343 3/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 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
SCHEMBL6496459 1.00 RAB9A (0.51) RAB9ASMN1; SMN2HSD17B10KDM4EMAPK1
Hydrochloric Acid SCHEMBL6501233 0.99 RAB9A (0.50) RAB9ASMN1; SMN2HSD17B10KDM4EMAPK1
Hydrochloric Acid SCHEMBL6501240 0.99 RAB9A (0.50) RAB9ASMN1; SMN2HSD17B10KDM4EMAPK1
SCHEMBL6501599 0.88 CHRNA7 (0.49) RAB9ASMN1; SMN2CHRNA7NPC1ALDH1A1
SCHEMBL6501606 0.88 CHRNA7 (0.49) RAB9ASMN1; SMN2CHRNA7NPC1ALDH1A1
SCHEMBL6497048 0.87 ALDH1A1 (0.51) RAB9ASMN1; SMN2KDM4EMAPK1CHRNA7
SCHEMBL6492457 0.87 CHRNA7 (0.48) RAB9ASMN1; SMN2CHRNA7NPC1ALDH1A1
SCHEMBL6492453 0.87 CHRNA7 (0.48) RAB9ASMN1; SMN2CHRNA7NPC1ALDH1A1
SCHEMBL6497050 0.87 ALDH1A1 (0.51) RAB9ASMN1; SMN2KDM4EMAPK1CHRNA7
SCHEMBL6487952 0.87 RAB9A (0.54) RAB9ASMN1; SMN2MAPK1CHRNA7NPC1

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-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US 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 1751/4885HSD17B10 2073/4885

“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.