SCHEMBL11936145

SCHEMBL11936145

Cc1cc(CNc2ccc(C(F)(F)F)cc2)c(C)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ GCGR P47871 2/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FRK P42685 1/20 0.36
▸ CAMK2B Q13554 1/20 0.36
▸ CAMK2G Q13555 1/20 0.36
▸ CAMK2D Q13557 1/20 0.36
▸ P2RX1 P51575 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
SCHEMBL3093725 0.77 FFAR1 (0.48) ALDH1A1MAPTKDM4EGAAFFAR1
SCHEMBL6272178 0.76 ADRA2B (0.47) MAPTBRD4FFAR1ERBB2KIF11
SCHEMBL19648933 0.76 KIF11 (0.40) ALDH1A1MAPTKDM4EMEN1GAA
Hydrochloric Acid SCHEMBL6854187 0.75 ADRA2B (0.46) MAPTBRD4FFAR1ERBB2KIF11
SCHEMBL11936056 0.74 KIF11 (0.41) BRD4FFAR1KIF11
SCHEMBL13565365 0.73 PPARA (0.41) BRD4FFAR1KIF11ADRA2A
SCHEMBL7161386 0.71 P2RX1 (0.55) MAPTKDM4EMEN1KMT2ABRD4
SCHEMBL3112562 0.70 ADRA2A (0.51) ALDH1A1FFAR1ADRA2ACACNA1B
SCHEMBL27706497 0.70 ADRA2A (0.48) ALDH1A1FFAR1ADRA2ACACNA1B
SCHEMBL11936090 0.68 FFAR1 (0.59) FFAR1KIF11CACNA1B

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 9 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-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 (3 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 ALDH1A1 3842/4885MAPT 3293/4885HSD17B10 1951/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885MAPT 4441/4885HSD17B10 708/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885MAPT 4321/4885HSD17B10 638/4885

“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.

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