SCHEMBL6237708

SCHEMBL6237708

COc1ccc2c(c1)CN(C=O)CC2CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GRIN2B Q13224 5/20 0.44
GRIN1 Q05586 3/20 0.44
MTNR1B P49286 1/20 0.44
CYP24A1 Q07973 1/20 0.43
OPRM1 P35372 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 1/20 0.40
HTR6 P50406 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL6208920 0.74 GRIN2B (0.43) GRIN2BGRIN1CYP24A1HTR2CHTR1A
SCHEMBL14625860 0.68 DRD1 (0.50) DRD2
SCHEMBL7744268 0.67 GRIN2B (0.47) GRIN2BGRIN1OPRM1HTR2C
SCHEMBL13368601 0.65 HTR6 (0.48) DRD2SIGMAR1HTR6
SCHEMBL6715467 0.65 ESR1 (0.65) SLC6A2SLC6A4SLC6A3DRD2HTR2C
SCHEMBL22754838 0.64 PDE4D (0.65) DRD2
SCHEMBL11515997 0.64 PARK7 (0.41) GRIN2BGRIN1MTNR1BCYP24A1DRD2
SCHEMBL4410802 0.64 ALDH1A1 (0.52) MTNR1BHTR2CSIGMAR1
SCHEMBL5505186 0.64 HRH3 (0.55) GRIN2BGRIN1DRD2
SCHEMBL8785651 0.64 CYP19A1 (0.60) CYP24A1DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 US disclosed
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
EP-1507763-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
WO-2003097607-A1 TETRAHYDROISOQUINOLINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-27 WO disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A SLC6A2 1550/4885SLC6A4 1694/4885SLC6A3 2056/4885
US-20050234096-A1 Tetrahydroisoquinoline derivatives PPARD, PPARG, PPARA SLC6A2 3869/4885SLC6A4 3525/4885SLC6A3 3645/4885

“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.