SCHEMBL91005

SCHEMBL91005

COc1ccc(-c2cc([C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)[nH]n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HTT P42858 7/20 0.57
TAAR1 Q96RJ0 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 7/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.47
XBP1 P17861 1/20 0.47
BLM P54132 1/20 0.47
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 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
SCHEMBL90872 0.89 PLK1 (0.48) MEN1KMT2AHTTTAAR1SMN1; SMN2
SCHEMBL91004 0.87 DRD4 (0.57) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL91023 0.87 MKNK1 (0.57) MEN1KMT2AHTTTAAR1POLB
SCHEMBL90870 0.86 DRD4 (0.48) MEN1KMT2AHTTLMNAPOLB
SCHEMBL90939 0.84 USP30 (0.52) MEN1KMT2AHTTCCNA2CDK2
SCHEMBL90977 0.81 MEN1 (0.45) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL90983 0.80 DRD2 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL91037 0.80 DRD4 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL90995 0.80 MEN1 (0.46) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL90867 0.80 RIPK2 (0.37) MEN1KMT2AHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 2264/4885KMT2A 2284/4885HTT 1921/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 2264/4885KMT2A 2284/4885HTT 1921/4885

“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.