SCHEMBL6503088

SCHEMBL6503088

CC1CC2CCN1C[C@@H]2NC(=O)c1ccc(-c2cccc(NC(=O)C(F)(F)F)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
PAX8 Q06710 2/20 0.44
MEN1 O00255 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CHRNA7 P36544 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.36
RAC1 P63000 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6491368 0.90 NQO2 (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6486773 0.90 ALDH1A1 (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6490380 0.86 NPC1 (0.44) NPC1RAB9AKMT2APAX8MEN1
SCHEMBL6487435 0.86 NR4A1 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6490046 0.85 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6488858 0.85 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6487899 0.84 ALDH1A1 (0.39) NPC1RAB9AKMT2AALDH1A1POLB
SCHEMBL6487775 0.84 ALDH1A1 (0.50) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6487200 0.84 ALDH1A1 (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6500251 0.84 ALDH1A1 (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1

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 NPC1 224/4885RAB9A 1437/4885KMT2A 3836/4885

“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.