SCHEMBL1035137

SCHEMBL1035137

CCOC(=O)C1(Nc2ccccc2)CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL5333674 0.90 OPRM1 (0.49) OPRM1SMN1; SMN2GAAOPRD1OPRK1
SCHEMBL11563599 0.89 OPRM1 (0.50) OPRM1SMN1; SMN2GAAMAPTMEN1
SCHEMBL11563460 0.86 OPRM1 (0.48) OPRM1SMN1; SMN2GAAOPRD1MAPT
SCHEMBL11455113 0.85 OPRM1 (0.48) OPRM1SMN1; SMN2GAANPFFR1NPFFR2
Hydrochloric Acid SCHEMBL11565402 0.85 OPRM1 (0.47) OPRM1SMN1; SMN2GAAOPRD1MAPT
SCHEMBL11567708 0.81 NPFFR1 (0.44) OPRM1SMN1; SMN2GAANPFFR1NPFFR2
SCHEMBL11563926 0.80 OPRM1 (0.53) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL5954517 0.80 RAB9A (0.58) OPRM1SMN1; SMN2MAPTMEN1LMNA
SCHEMBL11563510 0.79 OPRM1 (0.45) OPRM1SMN1; SMN2GAAOPRD1OPRK1
SCHEMBL25492303 0.79 GAA (0.44) OPRM1SMN1; SMN2GAAOPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US disclosed
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 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 (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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 OPRM1 3911/4885SMN1; SMN2 4039/4885GAA 1228/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 OPRM1 3095/4885SMN1; SMN2 3298/4885GAA 1540/4885

“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.