SCHEMBL6487899

SCHEMBL6487899

CC1CC2CCN1C[C@@H]2NC(=O)c1ccc(-c2ccccc2NC(=O)C(F)(F)F)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 7/20 0.38
NPC1 O15118 5/20 0.38
CHRNA7 P36544 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR3A P46098 1/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
CHRNB2 P17787 1/20 0.35

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
SCHEMBL6491301 0.90 SMN1; SMN2 (0.44) ALDH1A1POLBLMNARAB9ANPC1
SCHEMBL6486773 0.86 ALDH1A1 (0.48) ALDH1A1POLBRAB9ANPC1CHRNA7
SCHEMBL6495075 0.85 ACKR3 (0.40) CHRNA7KMT2AHTR3AMAPT
SCHEMBL6492376 0.85 RAB9A (0.48) ALDH1A1POLBGAARAB9ANPC1
SCHEMBL6503088 0.84 NPC1 (0.44) ALDH1A1POLBRAB9ANPC1CHRNA7
SCHEMBL6488495 0.84 ALDH1A1 (0.46) ALDH1A1POLBLMNARAB9ANPC1
SCHEMBL6496106 0.84 CHRNA7 (0.44) ALDH1A1POLBRAB9ANPC1CHRNA7
SCHEMBL6502115 0.83 RAB9A (0.52) ALDH1A1LMNAGAARAB9ANPC1
SCHEMBL6490697 0.83 CHRNA7 (0.43) ALDH1A1POLBRAB9ANPC1CHRNA7
SCHEMBL6632514 0.83 RAB9A (0.52) ALDH1A1LMNAGAARAB9ANPC1

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 625/4885POLB 1370/4885LMNA 2990/4885

“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.