SCHEMBL11942271

SCHEMBL11942271

CC1CN(C(=O)c2cccc(NCc3ccc(NS(=O)(=O)C(C)C)cc3)c2)CC(C)O1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
HSD11B1 P28845 5/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CRHBP P24387 3/20 0.46
CRHR2 Q13324 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL11936116 1.00 HSD17B10 (0.52) HSD17B10HSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL17090479 0.89 CRHBP (0.55) HSD17B10HSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL13565353 0.89 CRHBP (0.55) HSD17B10HSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL11935991 0.87 HSD17B10 (0.52) HSD17B10HSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL11941039 0.87 HSD17B10 (0.52) HSD17B10HSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL10133619 0.85 RXFP1 (0.56) HSD17B10KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10116643 0.85 RXFP1 (0.56) HSD17B10KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17090093 0.82 HTR1A (0.39) HSD11B1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL13566091 0.82 HTR1A (0.39) HSD11B1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL17090098 0.81 LMNA (0.46) SMN1; SMN2ALDH1A1L3MBTL1LMNA

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 6 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-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-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

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 HSD17B10 1951/4885HSD11B1 953/4885KMT2A 2031/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HSD17B10 708/4885HSD11B1 750/4885KMT2A 2321/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HSD17B10 2772/4885HSD11B1 1703/4885KMT2A 2517/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HSD17B10 638/4885HSD11B1 746/4885KMT2A 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.