SCHEMBL3343347

SCHEMBL3343347

O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccn3)c2)CC1)c1ccon1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
GRM5 P41594 1/20 0.48
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53BP1 Q12888 1/20 0.46
ABL1 P00519 1/20 0.46
CNR1 P21554 1/20 0.44
USP30 Q70CQ3 1/20 0.44
GAA P10253 1/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3341742 0.83 MAPK1 (0.46) JAK2HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL3327579 0.82 PTPN2 (0.51) SMN1; SMN2ALDH1A1USP30GAATSHR
SCHEMBL3347092 0.81 NPC1 (0.47) SMN1; SMN2KDM4EMAPK1GAA
SCHEMBL3366862 0.77 NPY5R (0.51)
SCHEMBL10192549 0.75 HTT (0.50) HPGDSMN1; SMN2ABL1GAAUSP2
SCHEMBL3333820 0.74 MAPT (0.46) ABL1TSHR
SCHEMBL3334156 0.72 EPHX1 (0.46) GAA
SCHEMBL14108403 0.72 MLLT1 (0.47) SMN1; SMN2TSHR
SCHEMBL3362758 0.71 ABL1 (0.52) ALDH1A1ABL1
Hydrochloric Acid SCHEMBL28847292 0.71 MLLT1 (0.46) SMN1; SMN2TSHR

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-8653125-B2 Cyclohexane derivative having NPY Y5 receptor antagonism SHIONOGI CO., LTD. (JP) 2014-02-18 US disclosed
US-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2012-01-05 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-20120004227-A1 CYCLOHEXANE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R JAK2 344/4885GRM5 186/4885HPGD 2035/4885

“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.