SCHEMBL2815482

SCHEMBL2815482

CC(=O)NCCC(C)(C)c1ccc(N)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PTGS1 P23219 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXRA P19793 1/20 0.33
F13A1 P00488 1/20 0.33
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ESRRG P62508 1/20 0.32
NOTUM Q6P988 1/20 0.32
NQO2 P16083 2/20 0.32
CFTR P13569 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
SCHEMBL2816302 0.79 ALDH1A1 (0.46) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL27775772 0.77 NR1H4 (0.32) HIF1AHSD17B10NR1H4NOTUM
SCHEMBL2817408 0.76 ESRRG (0.46) MTNR1AMTNR1BKDM4EALDH1A1LMNA
SCHEMBL2817651 0.69 NR1H4 (0.44) MTNR1AMTNR1BALDH1A1MAPTHPGD
SCHEMBL2815289 0.69 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1
SCHEMBL1684402 0.68 MAPT (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL30901480 0.68 MAPT (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL31147922 0.66 CYP1A2 (0.41) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL14457524 0.65 MAPT (0.33) KDM4EALDH1A1MAPT
SCHEMBL14347853 0.65 RAB9A (0.45) MTNR1AMTNR1BKDM4EALDH1A1LMNA

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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG PTPN1 3864/4885MTNR1A 123/4885MTNR1B 151/4885

“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.