SCHEMBL21144688

SCHEMBL21144688

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
KCNJ1 P48048 2/20 0.46
SLC1A2 P43004 2/20 0.45
SLC1A3 P43003 1/20 0.45
CCR2 P41597 1/20 0.45
CCR5 P51681 3/20 0.44
FAAH O00519 1/20 0.41
ACACB O00763 1/20 0.41
EP300 Q09472 1/20 0.41
HRH1 P35367 3/20 0.40
HTR1A P08908 2/20 0.40
DRD4 P21917 2/20 0.40
HTR2A P28223 2/20 0.40
OPRM1 P35372 2/20 0.40
KCNA5 P22460 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
HRH2 P25021 2/20 0.40
CACNA1F O60840 1/20 0.40

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
SCHEMBL21144685 1.00 KCNH2 (0.46) KCNH2KCNJ1SLC1A2SLC1A3CCR2
SCHEMBL21144878 0.91 SLC1A2 (0.45) KCNH2KCNJ1SLC1A2SLC1A3FAAH
SCHEMBL21144875 0.91 SLC1A2 (0.45) KCNH2KCNJ1SLC1A2SLC1A3FAAH
SCHEMBL21144737 0.88 CD274 (0.49) KCNH2KCNJ1CCR2CCR5ACACB
SCHEMBL21144738 0.88 CD274 (0.49) KCNH2KCNJ1CCR2CCR5ACACB
SCHEMBL21144699 0.86 CYP2D6 (0.42) KCNH2SLC1A2SLC1A3CCR5EP300
SCHEMBL21144701 0.86 CYP2D6 (0.42) KCNH2SLC1A2SLC1A3CCR5EP300
SCHEMBL18930771 0.85 ATM (0.43) KCNH2KCNJ1SLC1A2SLC1A3HRH1
SCHEMBL21144739 0.84 DPP4 (0.46) KCNH2SLC1A2SLC1A3FAAHACACB
SCHEMBL21144741 0.84 DPP4 (0.46) KCNH2SLC1A2SLC1A3FAAHACACB

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 KCNH2 2927/4885KCNJ1 1165/4885SLC1A2 3451/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L KCNH2 2927/4885KCNJ1 1165/4885SLC1A2 3451/4885

“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.