SCHEMBL2817707

SCHEMBL2817707

COCCn1cc(C(=O)O)c2cc(F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HRH2 P25021 1/20 0.49
CNR1 P21554 4/20 0.49
IDO1 P14902 2/20 0.49
CNR2 P34972 4/20 0.48
KDM4C Q9H3R0 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GSK3B P49841 1/20 0.46
IL1B P01584 1/20 0.46
P2RX7 Q99572 1/20 0.46
HTR3A P46098 2/20 0.46

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
Sulfamate SCHEMBL4554947 0.93 HRH2 (0.45) ALDH1A1HRH2CNR1IDO1CNR2
SCHEMBL25403772 0.92 CNR1 (0.50) ALDH1A1HRH2CNR1IDO1CNR2
SCHEMBL31083818 0.92 CNR1 (0.50) ALDH1A1HRH2CNR1IDO1CNR2
SCHEMBL4494230 0.83 CNR2 (0.61) HRH2CNR1CNR2KDM4CHTR3A
SCHEMBL4554948 0.82 HTR3A (0.45) CNR1IDO1CNR2MAPTGSK3B
SCHEMBL13537206 0.82 CNR2 (0.52) ALDH1A1CNR1IDO1CNR2MAPT
SCHEMBL30564140 0.82 SMN1; SMN2 (0.56) ALDH1A1CNR1IDO1CNR2MAPT
SCHEMBL12485447 0.82 KDM4E (0.54) ALDH1A1CNR1IDO1CNR2KDM4C
SCHEMBL2816604 0.81 CNR2 (0.51) CNR1IDO1CNR2KDM4CGSK3B
SCHEMBL6042188 0.81 CNR2 (0.70) ALDH1A1CNR1CNR2MAPTMEN1

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 claimed
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 ALDH1A1 1769/4885HRH2 95/4885CNR1 90/4885

“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.