SCHEMBL6496835

SCHEMBL6496835

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CHRNA7 P36544 4/20 0.55
HPGD P15428 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
PRKD3 O94806 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKD1 Q15139 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
S1PR4 O95977 1/20 0.49
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6496826 1.00 RAB9A (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6491277 0.89 CHRNA7 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6491280 0.89 CHRNA7 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6495539 0.88 CHRNA7 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6496520 0.88 NR4A1 (0.49) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL6498722 0.88 CHRNA7 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6496623 0.88 CHRNA7 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6498717 0.88 CHRNA7 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6496516 0.88 NR4A1 (0.49) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL6497302 0.87 CHRNA7 (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 RAB9A 1437/4885NPC1 224/4885SMN1; SMN2 1751/4885

“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.