SCHEMBL6491489

SCHEMBL6491489

Nc1cccc(-c2cnc(C(=O)NC3CC4CC3CN4)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.48
HDAC1 Q13547 9/20 0.40
HDAC6 Q9UBN7 9/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 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
SCHEMBL6488205 0.89 FAAH (0.48) FAAHHDAC1HDAC6CA12CA1
SCHEMBL6489393 0.89 CA12 (0.45) FAAHHDAC1HDAC6CA12CA1
SCHEMBL6496274 0.88 HDAC1 (0.52) FAAHHDAC1HDAC6CA12CA1
SCHEMBL6488963 0.88 HDAC1 (0.53) FAAHHDAC1HDAC6CA12CA1
SCHEMBL6499153 0.88 FAAH (0.48) FAAHHDAC1HDAC6CA12CA1
SCHEMBL6498706 0.87 TUBB4A (0.48) FAAHHDAC1HDAC6CA12CA1
SCHEMBL6499897 0.85 HDAC6 (0.54) FAAHHDAC1HDAC6
SCHEMBL6487908 0.85 NQO2 (0.43) HDAC1HDAC6TUBB4ATUBBTUBA3C
SCHEMBL6489061 0.83 TUBB4A (0.49) FAAHHDAC1HDAC6CA12CA1
SCHEMBL6496764 0.83 FAAH (0.48) FAAHHDAC1HDAC6CA12CA1

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 FAAH 1988/4885HDAC1 467/4885HDAC6 1069/4885

“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.