SCHEMBL6490697

SCHEMBL6490697

CC1CC2CCN1C[C@@H]2NC(=O)c1ccc(-c2ccccc2N)o1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HTR3A P46098 1/20 0.41
SLC9A1 P19634 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
UGCG Q16739 1/20 0.37

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
SCHEMBL6496106 0.89 CHRNA7 (0.44) CHRNA7ALDH1A1POLBHTR3ANPC1
SCHEMBL6488495 0.89 ALDH1A1 (0.46) CHRNA7ALDH1A1POLBHTR3ASLC9A1
SCHEMBL6492376 0.88 RAB9A (0.48) CHRNA7ALDH1A1POLBHTR3ASLC9A1
SCHEMBL6632514 0.88 RAB9A (0.52) CHRNA7ALDH1A1NPC1RAB9ACASP3
SCHEMBL6502115 0.88 RAB9A (0.52) CHRNA7ALDH1A1NPC1RAB9ACASP3
SCHEMBL6487870 0.87 CHRNA7 (0.53) CHRNA7ALDH1A1POLBHTR3ASLC9A1
SCHEMBL6497753 0.86 ALDH1A1 (0.52) CHRNA7ALDH1A1POLBHTR3ANPC1
SCHEMBL6491301 0.86 SMN1; SMN2 (0.44) CHRNA7ALDH1A1POLBHTR3ANPC1
SCHEMBL6489020 0.84 ALDH1A1 (0.52) CHRNA7ALDH1A1POLBNPC1RAB9A
SCHEMBL6490704 0.84 ACKR3 (0.41) CHRNA7HTR3A

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 CHRNA7 1097/4885ALDH1A1 625/4885POLB 1370/4885

“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.