SCHEMBL463706

SCHEMBL463706

CN1CCC(c2ccccc2)C(O)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.58
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
HTT P42858 1/20 0.50
KDM1A O60341 3/20 0.48
MAOB P27338 1/20 0.48
CHRNA7 P36544 1/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL11558939 1.00 SLC18A3 (0.58) SLC18A3SLC6A2SLC6A4SLC6A3CDK4
SCHEMBL11558947 1.00 SLC18A3 (0.58) SLC18A3SLC6A2SLC6A4SLC6A3CDK4
SCHEMBL11562664 1.00 SLC18A3 (0.58) SLC18A3SLC6A2SLC6A4SLC6A3CDK4
SCHEMBL11562671 1.00 SLC18A3 (0.58) SLC18A3SLC6A2SLC6A4SLC6A3CDK4
SCHEMBL10964465 0.86 SLC6A2 (0.54) SLC18A3SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL11105295 0.86 SLC6A2 (0.54) SLC18A3SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL10964456 0.86 SLC6A2 (0.54) SLC18A3SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL10964462 0.86 SLC6A2 (0.54) SLC18A3SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL11105288 0.86 SLC6A2 (0.54) SLC18A3SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL14186235 0.84 SLC6A3 (0.43) SLC18A3SLC6A2SLC6A4SLC6A3

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
US-4132710-A DIURETICS, ANOREXICS, ANTIDEPRESSANTS, ANTICONVULSANTS, & ANTIHYPERTENSIVE AGENTS AYERST, MCKENNA AND HARRISON, LTD. (CA) 1979-01-02 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT SLC18A3 649/4885SLC6A2 804/4885SLC6A4 1265/4885

“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.