SCHEMBL6490047

SCHEMBL6490047

CC1CC2CCN1C[C@@H]2NC(=O)c1ncc(-c2ccccc2Cl)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ACKR3 P25106 7/20 0.41
CHRNA7 P36544 1/20 0.41
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 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
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP30 Q70CQ3 1/20 0.35
HTR3A P46098 1/20 0.35
GHSR Q92847 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6500526 0.90 HDAC1 (0.45) HDAC1HDAC6ACKR3CHRNA7USP30
SCHEMBL6487842 0.90 ACKR3 (0.42) HDAC1HDAC6ACKR3CHRNA7NPC1
SCHEMBL6490704 0.89 ACKR3 (0.41) HDAC1HDAC6ACKR3CHRNA7USP30
SCHEMBL6495948 0.89 ACKR3 (0.49) HDAC1HDAC6ACKR3NPC1RAB9A
SCHEMBL6498540 0.87 HDAC1 (0.47) HDAC1HDAC6ACKR3CHRNA7NPC1
SCHEMBL6491167 0.87 USP30 (0.48) HDAC1HDAC6ACKR3CHRNA7USP30
SCHEMBL6501314 0.86 ACKR3 (0.40) HDAC1HDAC6ACKR3CHRNA7MEN1
SCHEMBL6498684 0.85 HDAC1 (0.43) HDAC1HDAC6ACKR3CHRNA7NPC1
SCHEMBL7122986 0.84 CHRNA7 (0.58) HDAC1HDAC6CHRNA7HTR3ATSHR
SCHEMBL6495075 0.84 ACKR3 (0.40) HDAC1HDAC6ACKR3CHRNA7MEN1

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 6 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
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 HDAC1 467/4885HDAC6 1069/4885ACKR3 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.