SCHEMBL6490704

SCHEMBL6490704

CC1CC2CCN1C[C@@H]2NC(=O)c1ncc(-c2ccccc2N)o1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.41
FAAH O00519 1/20 0.41
CHRNA7 P36544 1/20 0.38
USP30 Q70CQ3 1/20 0.35
HTR3A P46098 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL6487842 0.90 ACKR3 (0.42) ACKR3FAAHCHRNA7USP30HTR3A
SCHEMBL6500526 0.90 HDAC1 (0.45) ACKR3CHRNA7USP30HTR3AHDAC1
SCHEMBL6495948 0.89 ACKR3 (0.49) ACKR3FAAHUSP30HDAC1HDAC6
SCHEMBL6490047 0.89 HDAC1 (0.44) ACKR3CHRNA7USP30HTR3AHDAC1
SCHEMBL6498540 0.87 HDAC1 (0.47) ACKR3FAAHCHRNA7HTR3AHDAC1
SCHEMBL6491167 0.87 USP30 (0.48) ACKR3CHRNA7USP30HTR3AHDAC1
SCHEMBL6501314 0.86 ACKR3 (0.40) ACKR3CHRNA7USP30HTR3AHDAC1
SCHEMBL6502456 0.85 CA12 (0.42) ACKR3FAAHCHRNA7USP30HTR3A
SCHEMBL7119547 0.84 CHRNA7 (0.53) CHRNA7HTR3A
SCHEMBL6495075 0.84 ACKR3 (0.40) ACKR3CHRNA7USP30HTR3AHDAC1

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 8 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
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO 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 ACKR3 989/4885FAAH 1988/4885CHRNA7 1097/4885

“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.