SCHEMBL11935320

SCHEMBL11935320

CC(C)(C)S(=O)(=O)Nc1ccc(CNC2CCCCC2C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
SSTR3 P32745 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HDAC1 Q13547 1/20 0.34
FABP6 P51161 1/20 0.34
POLB P06746 1/20 0.33
ADRB3 P13945 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CXCL12 P48061 1/20 0.32
CXCR4 P61073 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL13565800 0.88 EPHX2 (0.32) HRH3OPRM1OPRK1
SCHEMBL11935325 0.85 HRH3 (0.54) HRH3OPRM1OPRK1ALDH1A1HDAC1
SCHEMBL13565517 0.83 HRH3 (0.38) HRH3OPRM1OPRK1SSTR3ALDH1A1
SCHEMBL11935310 0.81 MEN1 (0.44) HRH3OPRM1OPRK1ALDH1A1HDAC1
SCHEMBL13566079 0.78 FUCA1 (0.40) ALDH1A1LMNASMN1; SMN2TRPV1
SCHEMBL11941155 0.78 HRH3 (0.39) HRH3SSTR3ALDH1A1HDAC1POLB
SCHEMBL10114525 0.78 HTT (0.46) SSTR3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11935985 0.76 LTA4H (0.42) HRH3OPRM1OPRK1HDAC1FABP6
SCHEMBL11936118 0.74 EPHX1 (0.48) HRH3SSTR3ALDH1A1HDAC1POLB
SCHEMBL13565869 0.73 MAPT (0.48) HRH3ALDH1A1LMNAMAPTSMN1; SMN2

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-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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 (1 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HRH3 212/4885OPRM1 79/4885OPRK1 103/4885

“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.