SCHEMBL21144878

SCHEMBL21144878

CN1CCN(CC(Cc2ccc(C#N)cc2)NC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.45
SLC1A3 P43003 1/20 0.45
KCNH2 Q12809 2/20 0.43
KCNJ1 P48048 1/20 0.43
FAAH O00519 1/20 0.41
ACACB O00763 1/20 0.41
EP300 Q09472 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 1/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL21144875 1.00 SLC1A2 (0.45) SLC1A2SLC1A3KCNH2KCNJ1FAAH
SCHEMBL21144688 0.91 KCNH2 (0.46) SLC1A2SLC1A3KCNH2KCNJ1FAAH
SCHEMBL21144685 0.91 KCNH2 (0.46) SLC1A2SLC1A3KCNH2KCNJ1FAAH
SCHEMBL21144957 0.89 FPR1 (0.45) KCNH2FAAHACACBFPR1FPR2
SCHEMBL21144956 0.89 FPR1 (0.45) KCNH2FAAHACACBFPR1FPR2
SCHEMBL21144716 0.86 ALDH1A1 (0.46) KCNH2FAAHACACBALDH1A1
SCHEMBL21144718 0.86 ALDH1A1 (0.46) KCNH2FAAHACACBALDH1A1
SCHEMBL18930522 0.85 ATM (0.43) SLC1A2SLC1A3KCNH2
SCHEMBL21144739 0.84 DPP4 (0.46) SLC1A2SLC1A3KCNH2FAAHACACB
SCHEMBL21144741 0.84 DPP4 (0.46) SLC1A2SLC1A3KCNH2FAAHACACB

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 3 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
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP 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 SLC1A2 3451/4885SLC1A3 3434/4885KCNH2 2927/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L SLC1A2 3451/4885SLC1A3 3434/4885KCNH2 2927/4885

“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.