SCHEMBL11935925

SCHEMBL11935925

Cc1ccc(N2C(=O)c3ccc(NCc4ccc(N)cc4)cc3C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
CASP1 P29466 4/20 0.62
HSD17B10 Q99714 3/20 0.62
TSHR P16473 2/20 0.62
CASP7 P55210 2/20 0.62
HPGD P15428 3/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 2/20 0.46
GAA P10253 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL11935923 0.89 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ACASP1HSD17B10
SCHEMBL11935915 0.89 DDB1 (0.47) ALDH1A1NPC1RAB9ACASP1HSD17B10
SCHEMBL11936051 0.86 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ACASP1HSD17B10
SCHEMBL13565279 0.82 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ACASP1HSD17B10
SCHEMBL13566066 0.82 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ACASP1HSD17B10
SCHEMBL22111954 0.80 ALDH1A1 (0.70) ALDH1A1NPC1RAB9ACASP1HSD17B10
SCHEMBL11935928 0.80 RPS6KA2 (0.41) ALDH1A1NPC1RAB9ACASP1HSD17B10
SCHEMBL4781427 0.78 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ACASP1HSD17B10
SCHEMBL24236716 0.76 MEN1 (0.57) ALDH1A1NPC1RAB9ACASP1HSD17B10
SCHEMBL11935858 0.76 MAPT (0.67) ALDH1A1NPC1RAB9ACASP1HSD17B10

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 ALDH1A1 3842/4885NPC1 2907/4885RAB9A 2628/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885NPC1 3103/4885RAB9A 3084/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4013/4885NPC1 3796/4885RAB9A 1980/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885NPC1 2946/4885RAB9A 2804/4885

“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.