SCHEMBL2816604

SCHEMBL2816604

O=C(O)c1cn(CCCO)c2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.51
CNR1 P21554 3/20 0.51
ICMT O60725 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
GSK3B P49841 1/20 0.46
HTR3A P46098 6/20 0.45
IDO1 P14902 2/20 0.43

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
SCHEMBL4494230 0.88 CNR2 (0.61) CNR2CNR1ICMTKDM4CHTR3A
SCHEMBL2817441 0.84 HTR6 (0.51) CNR2CNR1ICMTKDM4CHTR3A
SCHEMBL31083818 0.84 CNR1 (0.50) CNR2CNR1ICMTKDM4CHTR3A
SCHEMBL25403772 0.84 CNR1 (0.50) CNR2CNR1ICMTKDM4CHTR3A
SCHEMBL15902348 0.82 CNR2 (0.48) CNR2CNR1ICMTGSK3BHTR3A
SCHEMBL12485447 0.81 KDM4E (0.54) CNR2CNR1KDM4CHTR3AIDO1
SCHEMBL2817707 0.81 ALDH1A1 (0.50) CNR2CNR1KDM4CGSK3BHTR3A
SCHEMBL15557151 0.80 HTR3A (0.58) CNR2CNR1KDM4CHTR3AIDO1
SCHEMBL6590622 0.80 CNR2 (0.48) CNR2CNR1ICMTHTR3AIDO1
SCHEMBL27335551 0.79 CNR2 (0.55) CNR2CNR1ICMTKDM4C

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 1 patent. 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

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 CNR2 198/4885CNR1 90/4885ICMT 4513/4885

“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.