SCHEMBL6496470

SCHEMBL6496470

O=C(NC1CC2CC1CN2)c1ncc(-c2ccccc2NC(=O)C(F)(F)F)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
PARP14 Q460N5 1/20 0.35
ACKR3 P25106 4/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32

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
SCHEMBL6496537 0.89 ALDH1A1 (0.41) FAAHPARP14ACKR3HDAC1HDAC6
SCHEMBL6486583 0.85 TUBB4A (0.43) FAAHACKR3HDAC1HDAC6MEN1
SCHEMBL6488113 0.84 FAAH (0.47) FAAHACKR3HDAC1HDAC6CA12
SCHEMBL6496592 0.84 FAAH (0.35) FAAHPARP14ACKR3HDAC1HDAC6
SCHEMBL6486920 0.84 ALDH1A1 (0.40) PARP14MAPTMEN1ALOX15KMT2A
SCHEMBL6496644 0.83 FAAH (0.46) FAAHACKR3HDAC1HDAC6MEN1
SCHEMBL6498804 0.83 TP53 (0.40) FAAHHDAC1HDAC6MAPTMEN1
SCHEMBL6500689 0.82 FAAH (0.47) FAAHACKR3HDAC1HDAC6CA12
SCHEMBL6500763 0.82 HDAC1 (0.51) FAAHACKR3HDAC1HDAC6MAPT
SCHEMBL6497995 0.82 HDAC1 (0.51) FAAHACKR3HDAC1HDAC6CA12

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 1988/4885PARP14 1038/4885ACKR3 989/4885

“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.