SCHEMBL6487729

SCHEMBL6487729

O=C(NC1CC2CNC1C2)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 4/20 0.57
NPC1 O15118 4/20 0.57
KDM4E B2RXH2 4/20 0.57
LMNA P02545 1/20 0.57
S1PR4 O95977 1/20 0.50
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PRKD3 O94806 1/20 0.46
PRKD1 Q15139 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
SLC9A1 P19634 1/20 0.45

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
SCHEMBL6498910 0.88 NPC1 (0.43) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6496911 0.88 NR4A1 (0.50) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6496636 0.88 SLC9A1 (0.45) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6496663 0.88 NPC1 (0.42) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6497293 0.87 NPC1 (0.56) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6488167 0.87 S1PR4 (0.43) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6503003 0.87 SLC9A1 (0.47) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6487288 0.84 NQO2 (0.50) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6500155 0.83 HDAC1 (0.50) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6491662 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1

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 ALDH1A1 625/4885SMN1; SMN2 1751/4885RAB9A 1437/4885

“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.