SCHEMBL746533

SCHEMBL746533

FC(F)(F)c1cccc(OC2CC3(CCNC3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
SLC6A3 Q01959 3/20 0.52
ABHD6 Q9BV23 2/20 0.51
MGLL Q99685 1/20 0.51
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 2/20 0.40
HTR2C P28335 2/20 0.39
DRD2 P14416 1/20 0.38
TACR1 P25103 1/20 0.37

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
Hydrochloric Acid SCHEMBL6114965 0.99 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ABHD6MGLL
SCHEMBL30758633 0.92 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ABHD6MGLL
SCHEMBL20490844 0.92 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ABHD6MGLL
Trifluoroacetic Acid SCHEMBL20983827 0.81 ABHD6 (0.56) SLC6A2SLC6A4SLC6A3ABHD6MGLL
SCHEMBL24168412 0.81 ABHD6 (0.55) SLC6A2SLC6A4SLC6A3ABHD6MGLL
SCHEMBL30334835 0.81 ABHD6 (0.55) SLC6A2SLC6A4SLC6A3ABHD6MGLL
SCHEMBL1231217 0.76 SLC6A4 (0.65) SLC6A2SLC6A4SLC6A3TP53MEN1
SCHEMBL83664 0.76 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3TP53MEN1
Hydrochloric Acid SCHEMBL31093492 0.75 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3TP53MEN1
Hydrochloric Acid SCHEMBL69186 0.75 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-20130211087-A1 7-AZA-SPIRO[3,5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-08-15 US disclosed
US-8394787-B2 7-aza-spiro[3.5]nonane-7-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20120129830-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-24 US disclosed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 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 (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-20130211087-A1 7-AZA-SPIRO[3,5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FAAH, FAAH2, ASAH1 SLC6A2 3996/4885SLC6A4 3444/4885SLC6A3 4065/4885
US-20120129830-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF HDAC7, NR3C2, EPOR SLC6A2 2151/4885SLC6A4 3731/4885SLC6A3 1867/4885

“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.