SCHEMBL339082

SCHEMBL339082

CCOC(=O)N1CCCC(NCC(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
TSHR P16473 2/20 0.39
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 4/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
DPP9 Q86TI2 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3B P49841 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL339820 0.90 CNR1 (0.49) CNR1CNR2TSHRJAK1JAK3
SCHEMBL339083 0.83 DPP4 (0.39) CNR1CNR2TSHRDPP4DPP8
SCHEMBL339484 0.81 TSHR (0.45) TSHRDPP4DPP8DPP9SMN1; SMN2
SCHEMBL339080 0.75 ALDH1A1 (0.49) TSHRSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL339324 0.72 ALDH1A1 (0.39) TSHRDPP4DPP8DPP9GAA
SCHEMBL340135 0.72 DPP4 (0.42) CNR1CNR2TSHRDPP4DPP8
SCHEMBL339389 0.72 ALDH1A1 (0.45) TSHRDPP4DPP8DPP9SMN1; SMN2
SCHEMBL338580 0.72 TSHR (0.44) TSHRDPP4DPP8DPP9F2
SCHEMBL338672 0.72 DPP4 (0.49) JAK1JAK3DPP4DPP8DPP9
SCHEMBL339827 0.72 DPP4 (0.43) CNR1TSHRDPP4DPP8DPP9

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-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC CNR1 1923/4885CNR2 2213/4885TSHR 2009/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC CNR1 1923/4885CNR2 2213/4885TSHR 2009/4885

“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.