SCHEMBL11935271

SCHEMBL11935271

NCCCCCNc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GFER P55789 1/20 0.44
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
APP P05067 1/20 0.39
NR1H3 Q13133 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
SCN2A Q99250 1/20 0.38
HSPA1A P0DMV8 1/20 0.38
PABPC1 P11940 1/20 0.38

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
SCHEMBL13439070 0.95 ESR1 (0.49) ESR1ALDH1A1KDM4EMAPTRXFP1
SCHEMBL11935764 0.89 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL13462814 0.86 ALDH1A1 (0.41) ESR1ALDH1A1KDM4EMAPTRXFP1
SCHEMBL13105582 0.85 ALDH1A1 (0.43) ESR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL11935719 0.85 ALDH1A1 (0.40) ESR1ALDH1A1KDM4EMAPTRXFP1
SCHEMBL11935407 0.84 ALDH1A1 (0.42) ESR1ALDH1A1KMT2AMEN1GFER
SCHEMBL13113439 0.84 PTH1R (0.45) ESR1ALDH1A1KMT2AMEN1GFER
SCHEMBL11935771 0.82 ALDH1A1 (0.40) ESR1ALDH1A1KMT2AMEN1GFER
SCHEMBL11935277 0.81 APP (0.50) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL13565702 0.80 ESR1 (0.40) ESR1ALDH1A1KDM4EMAPTRXFP1

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 ESR1 662/4885ALDH1A1 3842/4885KDM4E 1765/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ESR1 770/4885ALDH1A1 3735/4885KDM4E 1429/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ESR1 769/4885ALDH1A1 4013/4885KDM4E 2311/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ESR1 851/4885ALDH1A1 3361/4885KDM4E 1334/4885

“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.