SCHEMBL11935922

SCHEMBL11935922

Cc1cc(NCc2ccc(N)cc2)ccc1N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.39
CCR3 P51677 1/20 0.39
JAK1 P23458 4/20 0.39
BACE1 P56817 2/20 0.39
P2RX3 P56373 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
OPRD1 P41143 1/20 0.37
DRD2 P14416 4/20 0.37
DRD3 P35462 2/20 0.37
DRD4 P21917 1/20 0.37
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL13565282 0.84 P2RX3 (0.40) JAK1P2RX3DRD2
SCHEMBL13565837 0.84 CCR1 (0.38) JAK1P2RX3DRD2
SCHEMBL13113908 0.81 KDM4E (0.41) OPRL1CCR3JAK1OPRD1DRD2
SCHEMBL11935770 0.80 DRD2 (0.43) JAK1DRD2DRD3DRD4
SCHEMBL13439149 0.78 OPRM1 (0.41) OPRL1JAK1DRD2DRD3DRD4
SCHEMBL11935405 0.78 OPRM1 (0.41) OPRL1JAK1DRD2DRD3DRD4
SCHEMBL11935930 0.78 L3MBTL1 (0.44) OPRL1CCR3NPC1RAB9ADRD2
SCHEMBL11935929 0.76 SIGMAR1 (0.38) OPRL1CCR3DRD2DRD3DRD4
SCHEMBL11935603 0.73 CCR1 (0.47) DRD2
SCHEMBL13565246 0.73 CCR1 (0.45) DRD2

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 OPRL1 23/4885CCR3 1171/4885JAK1 950/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R OPRL1 33/4885CCR3 877/4885JAK1 1231/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R OPRL1 30/4885CCR3 1656/4885JAK1 691/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R OPRL1 42/4885CCR3 983/4885JAK1 997/4885

“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.