SCHEMBL11935855

SCHEMBL11935855

CCCc1ccc(NCc2ccc(N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 2/20 0.49
MAPK1 P28482 2/20 0.49
CASP1 P29466 2/20 0.49
BLM P54132 2/20 0.49
HSD17B10 Q99714 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
APAF1 O14727 1/20 0.49
USP2 O75604 1/20 0.49
ALOX12 P18054 1/20 0.49
GFER P55789 2/20 0.46
FFAR1 O14842 5/20 0.45
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL11934717 0.89 SPHK1 (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11934785 0.89 SPHK1 (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL455536 0.86 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5154356 0.86 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL3422016 0.86 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL11935856 0.85 GAA (0.67) MAPTMEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL4949253 0.84 MAOA (0.48) MAPTMEN1KMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL2985269 0.84 MAOA (0.48) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL27486404 0.83 HTT (0.63) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL27350060 0.82 GFER (0.52) MAPTALDH1A1L3MBTL1ALOX12GFER

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 MAPT 3293/4885MEN1 1550/4885KMT2A 2031/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4441/4885MEN1 2486/4885KMT2A 2321/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885MEN1 2254/4885KMT2A 2200/4885

“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.