SCHEMBL21144957

SCHEMBL21144957

N#Cc1ccc(CC(CN2CCCC2)NC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.45
FPR2 P25090 4/20 0.45
ACACB O00763 1/20 0.44
DPP4 P27487 3/20 0.42
DPP8 Q6V1X1 2/20 0.42
FAP Q12884 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CTSK P43235 3/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 1/20 0.42
CTSC P53634 4/20 0.41
KCNH2 Q12809 2/20 0.41
FAAH O00519 1/20 0.41
USP14 P54578 1/20 0.40
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL21144956 1.00 FPR1 (0.45) FPR1FPR2ACACBDPP4DPP8
SCHEMBL21144878 0.89 SLC1A2 (0.45) FPR1FPR2ACACBKCNH2FAAH
SCHEMBL21144718 0.89 ALDH1A1 (0.46) ACACBDPP4DPP8FAPDPP9
SCHEMBL21144875 0.89 SLC1A2 (0.45) FPR1FPR2ACACBKCNH2FAAH
SCHEMBL21144716 0.89 ALDH1A1 (0.46) ACACBDPP4DPP8FAPDPP9
SCHEMBL18930240 0.83 ATM (0.45) FPR1FPR2ACACBCTSKCTSL
SCHEMBL21144761 0.82 FPR1 (0.48) FPR1FPR2ACACBDPP4DPP8
SCHEMBL21144763 0.82 FPR1 (0.48) FPR1FPR2ACACBDPP4DPP8
SCHEMBL23357210 0.79 MAPK1 (0.47) CTSKCTSCKCNH2CYP3A4
SCHEMBL21144850 0.79 MAPK1 (0.47) CTSKCTSCKCNH2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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 (2 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L FPR1 2439/4885FPR2 2431/4885ACACB 840/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L FPR1 2439/4885FPR2 2431/4885ACACB 840/4885

“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.