SCHEMBL11935923

SCHEMBL11935923

CC(C)c1ccc(N2C(=O)c3ccc(NCc4ccc(N)cc4)cc3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
HPGD P15428 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
SCHEMBL11935925 0.89 ALDH1A1 (0.62) ALDH1A1TSHRNPC1RAB9ACASP1
SCHEMBL11936078 0.86 MAPT (0.42) ALDH1A1TSHRNPC1RAB9AMAPK1
SCHEMBL11935915 0.85 DDB1 (0.47) ALDH1A1TSHRNPC1RAB9ACASP1
SCHEMBL13565341 0.84 MAPT (0.41) ALDH1A1TSHRNPC1RAB9AMAPK1
SCHEMBL11936051 0.83 ALDH1A1 (0.44) ALDH1A1TSHRNPC1RAB9ACASP1
SCHEMBL11935928 0.82 RPS6KA2 (0.41) ALDH1A1TSHRNPC1RAB9ACASP1
SCHEMBL11935407 0.78 ALDH1A1 (0.42) ALDH1A1TSHRNPC1RAB9ACASP1
SCHEMBL13566066 0.76 ALDH1A1 (0.48) ALDH1A1TSHRNPC1RAB9ACASP1
SCHEMBL11935866 0.76 L3MBTL1 (0.57) ALDH1A1TSHRNPC1RAB9ACASP1
SCHEMBL11936080 0.74 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTKDM4EGAA

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 3842/4885TSHR 117/4885NPC1 2907/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885TSHR 153/4885NPC1 3103/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4013/4885TSHR 92/4885NPC1 3796/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885TSHR 152/4885NPC1 2946/4885

“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.