SCHEMBL6489260

SCHEMBL6489260

O=C(NC1CC2CNC1C2)c1ccc(-c2ccc(F)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
KDM4E B2RXH2 8/20 0.49
PTPN1 P18031 1/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC9A1 P19634 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL6500809 0.90 NPC1 (0.43) ALDH1A1KDM4EPTPN1LMNAHPGD
SCHEMBL6501627 0.89 MMP13 (0.43) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL6497293 0.89 NPC1 (0.56) ALDH1A1KDM4EPTPN1LMNAHPGD
SCHEMBL6500583 0.89 NPC1 (0.42) ALDH1A1KDM4EPTPN1LMNAHPGD
SCHEMBL6488167 0.88 S1PR4 (0.43) ALDH1A1KDM4EPTPN1LMNAHPGD
SCHEMBL6496911 0.87 NR4A1 (0.50) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL6500577 0.87 MAPKAPK2 (0.45) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL6496009 0.85 MEN1 (0.49) ALDH1A1KDM4EPTPN1LMNAHPGD
SCHEMBL6490768 0.84 MAPKAPK2 (0.41) ALDH1A1KDM4EPTPN1LMNAHPGD
SCHEMBL6495236 0.82 RAB9A (0.49) ALDH1A1KDM4ELMNAHPGDNPC1

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 6 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
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 ALDH1A1 625/4885KDM4E 2799/4885PTPN1 881/4885

“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.