SCHEMBL4503607

SCHEMBL4503607

O=C1CCCN1C1(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
SIGMAR1 Q99720 2/20 0.46
SLC6A4 P31645 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP2B6 P20813 1/20 0.46
SLC6A2 P23975 1/20 0.46
PRCP P42785 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
OPRM1 P35372 3/20 0.44
OPRD1 P41143 1/20 0.44
OPRL1 P41146 2/20 0.42
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2994152 0.93 SIGMAR1 (0.56) GRIN1GRIN2ASIGMAR1SLC6A4GRIN2B
SCHEMBL8765712 0.88 GRIN1 (0.59) GRIN1GRIN2ASIGMAR1SLC6A4GRIN2B
SCHEMBL7583601 0.88 POLB (0.41) GRIN1GRIN2ASIGMAR1SLC6A4GRIN2B
SCHEMBL5641730 0.82 F10 (0.38) OPRM1ALDH1A1HSD11B1
SCHEMBL29348806 0.77 HSD11B1 (0.52) KMT2AALDH1A1HSD11B1L3MBTL1
SCHEMBL3905409 0.75 LMNA (0.51) SIGMAR1OPRM1OPRD1OPRL1MEN1
SCHEMBL27698386 0.74 OPRL1 (0.46) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
SCHEMBL20818435 0.74 OPRM1 (0.43) GRIN1GRIN2ASIGMAR1SLC6A4GRIN2B
SCHEMBL11752680 0.73 AKR1C3 (0.40) GRIN1GRIN2ASIGMAR1SLC6A4GRIN2B
SCHEMBL3902260 0.73 GABRD (0.40) OPRM1ALDH1A1SLC6A9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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 (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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 GRIN1 1622/4885GRIN2A 3886/4885SIGMAR1 2409/4885

“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.