SCHEMBL21144775

SCHEMBL21144775

CC(C)NCC[C@@H](Cc1ccc(C#N)cc1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAOB P27338 1/20 0.40
CTSC P53634 7/20 0.39
KCNH2 Q12809 3/20 0.39
ACACB O00763 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACE P12821 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
NLRP3 Q96P20 1/20 0.38
CTSK P43235 1/20 0.37
MME P08473 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL21144777 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3MAOBCTSC
SCHEMBL18930774 0.83 ATM (0.46) ADRB2ADRB1ADRB3CTSK
SCHEMBL21144971 0.82 MMP12 (0.42) MAOBCTSCKCNH2ACACBMMP12
SCHEMBL21144973 0.82 MMP12 (0.42) MAOBCTSCKCNH2ACACBMMP12
SCHEMBL21144923 0.81 MME (0.45) MAOBCTSCKCNH2ACACBMEN1
SCHEMBL21144925 0.81 MME (0.45) MAOBCTSCKCNH2ACACBMEN1
SCHEMBL23357210 0.79 MAPK1 (0.47) MAOBCTSCKCNH2MEN1KMT2A
SCHEMBL21144850 0.79 MAPK1 (0.47) MAOBCTSCKCNH2MEN1KMT2A
SCHEMBL18920691 0.79 MAPK1 (0.47) MAOBCTSCKCNH2MEN1KMT2A
SCHEMBL21144620 0.78 CTSC (0.44) MAOBCTSCKCNH2MMP12MMP13

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 ADRB2 3138/4885ADRB1 2912/4885ADRB3 4015/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L ADRB2 3138/4885ADRB1 2912/4885ADRB3 4015/4885

“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.