SCHEMBL6486773

SCHEMBL6486773

CC1CC2CCN1C[C@@H]2NC(=O)c1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
MAPKAPK2 P49137 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
APAF1 O14727 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MAPT P10636 4/20 0.39
PTPN1 P18031 2/20 0.39
KDM4E B2RXH2 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL6503088 0.90 NPC1 (0.44) ALDH1A1POLBMEN1KMT2ANPC1
SCHEMBL6487808 0.89 ALDH1A1 (0.51) ALDH1A1POLBMAPKAPK2MEN1KMT2A
SCHEMBL6500448 0.87 ALDH1A1 (0.52) ALDH1A1POLBMEN1KMT2ANPC1
SCHEMBL6487899 0.86 ALDH1A1 (0.39) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL6500481 0.86 ALDH1A1 (0.53) ALDH1A1POLBMAPKAPK2MEN1KMT2A
SCHEMBL6495229 0.86 ALDH1A1 (0.53) ALDH1A1POLBMAPKAPK2MEN1KMT2A
SCHEMBL6487426 0.85 KMT2A (0.41) ALDH1A1POLBMEN1KMT2ANPC1
SCHEMBL6489020 0.85 ALDH1A1 (0.52) ALDH1A1POLBMAPKAPK2MEN1KMT2A
SCHEMBL6499492 0.85 NPC1 (0.54) ALDH1A1POLBMAPKAPK2MEN1KMT2A
SCHEMBL6497753 0.85 ALDH1A1 (0.52) ALDH1A1POLBMEN1KMT2ANPC1

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 625/4885POLB 1370/4885MAPKAPK2 4793/4885

“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.