SCHEMBL11935929

SCHEMBL11935929

Cc1cc(N)ccc1CNc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CCR3 P51677 1/20 0.37
DRD2 P14416 4/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
EPHX2 P34913 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CYBB P04839 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
CCR1 P32246 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
PLA2G1B P04054 1/20 0.35
GAA P10253 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
SCHEMBL13566076 0.82 CCR1 (0.40) DRD2EPHX2MAPTCCR1
SCHEMBL13565913 0.82 CCR1 (0.38) DRD2DRD4DRD3EPHX2MAPT
SCHEMBL11935930 0.82 L3MBTL1 (0.44) SIGMAR1L3MBTL1CCR3DRD2LMNA
SCHEMBL13716755 0.78 CCR3 (0.49) L3MBTL1CCR3DRD2LMNAKDM4E
SCHEMBL11935922 0.76 OPRL1 (0.39) CCR3DRD2DRD4DRD3OPRL1
SCHEMBL11935415 0.73 OPRL1 (0.39) SIGMAR1CCR3DRD2DRD3LMNA
SCHEMBL11942260 0.73 GAA (0.48) SIGMAR1CCR3DRD2DRD4DRD3
SCHEMBL11935272 0.72 DRD2 (0.42) CCR3DRD2DRD3CCR1OPRL1
SCHEMBL13113933 0.72 L3MBTL1 (0.47) L3MBTL1CCR3DRD2LMNAKDM4E
SCHEMBL13566032 0.72 L3MBTL1 (0.39) L3MBTL1DRD2LMNAKDM4EALDH1A1

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 SIGMAR1 57/4885L3MBTL1 3168/4885CCR3 1171/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R SIGMAR1 75/4885L3MBTL1 3162/4885CCR3 877/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R SIGMAR1 77/4885L3MBTL1 4229/4885CCR3 1656/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R SIGMAR1 95/4885L3MBTL1 3233/4885CCR3 983/4885

“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.