SCHEMBL11935488

SCHEMBL11935488

NC1CCC(CNc2ccc(OC3CCCCC3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 6/20 0.39
PARP10 Q53GL7 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
MAPT P10636 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
FAAH O00519 1/20 0.35
NAMPT P43490 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL13439233 1.00 ALDH1A1 (0.40) ALDH1A1TSHRHRH3PARP10ACHE
SCHEMBL13439080 0.86 KDM4E (0.39) ALDH1A1HRH3ACHEBACE1MAPT
SCHEMBL11935370 0.86 KDM4E (0.39) ALDH1A1HRH3ACHEBACE1MAPT
SCHEMBL11935487 0.84 HDAC4 (0.43) ALDH1A1HRH3MAPTGAA
SCHEMBL13439219 0.84 HDAC4 (0.43) ALDH1A1HRH3MAPTGAA
SCHEMBL13439248 0.82 HDAC4 (0.44) HRH3
SCHEMBL11935513 0.82 HDAC4 (0.44) HRH3
SCHEMBL13439257 0.81 KDM4E (0.38) ALDH1A1ACHEBACE1MAPTKDM4E
SCHEMBL11935514 0.81 KDM4E (0.38) ALDH1A1ACHEBACE1MAPTKDM4E
SCHEMBL13439276 0.80 KDM4E (0.37) ALDH1A1HRH3ACHEBACE1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 117/4885HRH3 192/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885TSHR 152/4885HRH3 212/4885

“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.