SCHEMBL3661142

SCHEMBL3661142

C=C(C)CC(N)(CC(N)C(C)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
KIF11 P52732 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3657776 1.00 HTR2A (0.34) HTR2AKIF11SMN1; SMN2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3203244 0.87 KIF11 (0.32) HTR2AKIF11DPP4DPP7
SCHEMBL13010782 0.76 SMN1; SMN2 (0.38) HTR2ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL9962947 0.74 SIGMAR1 (0.37) SMN1; SMN2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL3194342 0.72 HTR2A (0.33) HTR2AKIF11
SCHEMBL3779463 0.71 DPP4 (0.33) SLC6A3DPP4
SCHEMBL1902599 0.69 SMN1; SMN2 (0.43) HTR2ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL3192627 0.68 SIGMAR1 (0.39) SMN1; SMN2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL117417 0.67 SMN1; SMN2 (0.40) SMN1; SMN2SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL1431291 0.64 ALOX5 (0.36) HTR2AKIF11SMN1; SMN2SLC6A2SLC6A4

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-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
EP-2220052-B1 CYCLIC UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-03-25 EP disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US disclosed
EP-2220052-A1 CYCLIC UREA INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009061498-A1 CYCLIC UREA INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-05-14 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-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 HTR2A 4119/4885KIF11 3734/4885SMN1; SMN2 2797/4885

“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.