SCHEMBL6495075

SCHEMBL6495075

CC1CC2CCN1C[C@@H]2NC(=O)c1ncc(-c2ccccc2NC(=O)C(F)(F)F)o1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.40
USP30 Q70CQ3 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
SSTR4 P31391 2/20 0.33
SSTR1 P30872 1/20 0.33
SLC18A3 Q16572 1/20 0.33
ADRA2A P08913 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR3A P46098 2/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNA7 P36544 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
SCHEMBL6501314 0.91 ACKR3 (0.40) ACKR3USP30MEN1MAPTALOX15
SCHEMBL6487426 0.86 KMT2A (0.41) ACKR3USP30MEN1KMT2AHDAC1
SCHEMBL6495948 0.86 ACKR3 (0.49) ACKR3USP30HDAC1HDAC6
SCHEMBL6487899 0.85 ALDH1A1 (0.39) MAPTKMT2AHTR3ACHRNA7
SCHEMBL6490380 0.85 NPC1 (0.44) ACKR3USP30MEN1MAPTKMT2A
SCHEMBL6500526 0.85 HDAC1 (0.45) ACKR3USP30HDAC1HDAC6HTR3A
SCHEMBL6487842 0.85 ACKR3 (0.42) ACKR3USP30MEN1KMT2AHDAC1
SCHEMBL6490704 0.84 ACKR3 (0.41) ACKR3USP30HDAC1HDAC6HTR3A
SCHEMBL6490047 0.84 HDAC1 (0.44) ACKR3USP30MEN1KMT2AHDAC1
SCHEMBL6495239 0.83 USP30 (0.39) USP30HTR3ACHRNA7

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 989/4885USP30 3442/4885MEN1 1004/4885

“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.