SCHEMBL11942260

SCHEMBL11942260

Cc1cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
RAD52 P43351 1/20 0.48
SIGMAR1 Q99720 2/20 0.43
CCR3 P51677 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
DRD2 P14416 4/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
CCR1 P32246 1/20 0.42
SLC18A3 Q16572 1/20 0.41
DRD1 P21728 1/20 0.40

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
SCHEMBL11935930 0.83 L3MBTL1 (0.44) GAASIGMAR1CCR3KDM4EMAPT
SCHEMBL13113632 0.82 ALDH1A1 (0.41) SIGMAR1CCR3KDM4EMAPTALDH1A1
SCHEMBL13716755 0.80 CCR3 (0.49) GAACCR3KDM4EMAPTALDH1A1
SCHEMBL29218532 0.77 GAA (0.61) GAARAD52KDM4EMAPTALDH1A1
SCHEMBL5537771 0.76 CCR3 (0.50) SIGMAR1CCR3OPRM1OPRL1OPRD1
SCHEMBL11935587 0.76 DRD2 (0.41) CCR3DRD2DRD4DRD3CCR1
SCHEMBL15358759 0.74 GAA (0.77) GAARAD52KDM4EMAPTALDH1A1
SCHEMBL6151434 0.74 GAA (0.77) GAARAD52KDM4EMAPTALDH1A1
SCHEMBL29209063 0.74 GAA (0.51) GAARAD52KDM4EMAPTALDH1A1
SCHEMBL7794534 0.74 ALDH1A1 (0.63) SIGMAR1MAPTALDH1A1LMNAPOLB

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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 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-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 (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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R GAA 4212/4885RAD52 4150/4885SIGMAR1 57/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GAA 2277/4885RAD52 4358/4885SIGMAR1 95/4885

“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.