SCHEMBL11935930

SCHEMBL11935930

Cc1cc(CNc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.44
GAA P10253 8/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 7/20 0.40
MAPT P10636 7/20 0.40
ALOX15 P16050 6/20 0.40
ALOX12 P18054 6/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 3/20 0.40
GFER P55789 3/20 0.39
OPRL1 P41146 2/20 0.39
CCR3 P51677 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPK1 P28482 4/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL11942260 0.83 GAA (0.48) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL11935929 0.82 SIGMAR1 (0.38) L3MBTL1GAAKDM4EMAPTALDH1A1
SCHEMBL13565854 0.81 GAA (0.39) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL13566032 0.81 L3MBTL1 (0.39) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL11935922 0.78 OPRL1 (0.39) NPC1RAB9AOPRL1CCR3DRD2
SCHEMBL13113933 0.78 L3MBTL1 (0.47) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL13565649 0.77 L3MBTL1 (0.45) L3MBTL1GAANPC1RAB9AKDM4E
SCHEMBL13565913 0.73 CCR1 (0.38) MAPTMAPK1DRD2
SCHEMBL13566076 0.73 CCR1 (0.40) MAPTDRD2
SCHEMBL13716755 0.72 CCR3 (0.49) L3MBTL1GAANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R L3MBTL1 3168/4885GAA 4212/4885NPC1 2907/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R L3MBTL1 3162/4885GAA 2722/4885NPC1 3103/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R L3MBTL1 4229/4885GAA 4105/4885NPC1 3796/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R L3MBTL1 3233/4885GAA 2277/4885NPC1 2946/4885

“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.