SCHEMBL6501314

SCHEMBL6501314

CC(=O)Nc1ccccc1-c1cnc(C(=O)N[C@H]2CN3CCC2CC3C)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 8/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
IMPDH2 P12268 1/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
USP30 Q70CQ3 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HTR3A P46098 2/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNA7 P36544 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33

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
SCHEMBL6495075 0.91 ACKR3 (0.40) ACKR3MEN1MAPTALOX15KMT2A
SCHEMBL6500526 0.87 HDAC1 (0.45) ACKR3USP30HDAC1HDAC6HTR3A
SCHEMBL6487842 0.87 ACKR3 (0.42) ACKR3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6490047 0.86 HDAC1 (0.44) ACKR3SMN1; SMN2MEN1KMT2AUSP30
SCHEMBL6490704 0.86 ACKR3 (0.41) ACKR3USP30HDAC1HDAC6HTR3A
SCHEMBL6495948 0.86 ACKR3 (0.49) ACKR3USP30HDAC1HDAC6
SCHEMBL7122850 0.86 CHRNA7 (0.44) HTR3AKCNH2CHRNA7
SCHEMBL6498540 0.85 HDAC1 (0.47) ACKR3HDAC1HDAC6HTR3AKCNH2
SCHEMBL6494428 0.85 KMT2A (0.43) ACKR3KDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL6491301 0.85 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2MEN1MAPT

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 ACKR3 989/4885KDM4E 2799/4885ALDH1A1 625/4885

“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.