SCHEMBL2817645

SCHEMBL2817645

NC(=O)C1(c2ccc(N)cc2)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AKR1C1 Q04828 1/20 0.47
HDAC4 P56524 3/20 0.43
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
HSD11B1 P28845 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL19670034 0.96 LMNA (0.50) LMNAALDH1A1L3MBTL1AKR1C1HDAC4
SCHEMBL5106245 0.92 LMNA (0.45) LMNAALDH1A1L3MBTL1AKR1C1PRKAB2
SCHEMBL2817038 0.84 AKR1C1 (0.68) LMNAALDH1A1L3MBTL1AKR1C1HDAC4
SCHEMBL8184245 0.84 LMNA (0.54) LMNAALDH1A1AKR1C1HDAC4PRKAB2
SCHEMBL4219088 0.83 OPRM1 (0.42) LMNAALDH1A1L3MBTL1PRKAB2PRKAG1
SCHEMBL16424490 0.83 HDAC1 (0.53) LMNAALDH1A1L3MBTL1TSHRPOLB
SCHEMBL23919964 0.82 LMNA (0.53) LMNAALDH1A1L3MBTL1AKR1C1HDAC4
SCHEMBL29057707 0.82 LMNA (0.57) LMNAALDH1A1AKR1C1HDAC4PRKAB2
SCHEMBL22027131 0.82 LMNA (0.57) LMNAALDH1A1AKR1C1HDAC4PRKAB2
SCHEMBL42559 0.82 LMNA (0.53) LMNAALDH1A1AKR1C1HDAC4HSD11B1

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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US 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 LMNA 1819/4885ALDH1A1 1769/4885L3MBTL1 3606/4885

“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.