SCHEMBL4155087

SCHEMBL4155087

Cc1cccc(CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCC2=O)C2CC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
REN P00797 8/20 0.38
USP30 Q70CQ3 2/20 0.37
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 5/20 0.36
CYP3A4 P08684 2/20 0.36
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 2/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL3111265 0.86 REN (0.52) JAK2JAK1RENCYP3A4KCNH2
SCHEMBL3103641 0.77 REN (0.41) JAK2JAK1RENUSP30GPR119
SCHEMBL1229339 0.77 REN (0.46) RENCYP3A4KCNH2
SCHEMBL10183402 0.77 TACR1 (0.44) JAK2JAK1RENUSP30HSD11B1
SCHEMBL10183689 0.76 TACR1 (0.43) JAK2JAK1RENUSP30HSD11B1
SCHEMBL14026912 0.76 USP30 (0.42) JAK2JAK1RENUSP30GPR119
SCHEMBL3108333 0.76 REN (0.48) RENCYP3A4KCNH2
SCHEMBL3105266 0.76 REN (0.54) REN
SCHEMBL5313422 0.76 REN (0.48) JAK2JAK1RENGPR119CYP3A4
SCHEMBL8264309 0.76 TACR1 (0.45) JAK2JAK1RENUSP30HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062342-A1 AMINES ACTELION PHARMACEUTICALS LTD. (CH) 2009-03-05 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 (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-20090062342-A1 AMINES REN, ACE, MAOA JAK2 1993/4885JAK1 1885/4885REN 1/4885

“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.