SCHEMBL6487435

SCHEMBL6487435

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
PDE4B Q07343 6/20 0.43
CHRNA7 P36544 4/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
SLC9A1 P19634 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
C3AR1 Q16581 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 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
SCHEMBL6490046 0.90 ALDH1A1 (0.46) ALDH1A1POLBCHRNA7SLC9A1CHRNB2
SCHEMBL6488858 0.90 ALDH1A1 (0.46) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL6487200 0.89 ALDH1A1 (0.45) ALDH1A1POLBCHRNA7GAACHRNB2
SCHEMBL6500251 0.89 ALDH1A1 (0.45) ALDH1A1POLBCHRNA7SLC9A1CHRNB2
SCHEMBL6487775 0.89 ALDH1A1 (0.50) ALDH1A1POLBPDE4BMGAMGAA
SCHEMBL6500448 0.88 ALDH1A1 (0.52) ALDH1A1POLBPDE4BCHRNA7MGAM
SCHEMBL6497753 0.88 ALDH1A1 (0.52) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL6491368 0.87 NQO2 (0.47) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL6503088 0.86 NPC1 (0.44) ALDH1A1POLBCHRNA7CHRNB2CHRNA4
SCHEMBL6488043 0.84 ACKR3 (0.46) POLBCHRNA7

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 4 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
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US 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 NR4A1 160/4885NR4A2 777/4885NR4A3 1153/4885

“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.