SCHEMBL748203

SCHEMBL748203

Clc1ccc(OC2CC3(CCNC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A3 Q01959 4/20 0.44
DRD2 P14416 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC9A3 P48764 1/20 0.35
HRH1 P35367 1/20 0.34
MAPT P10636 1/20 0.34
LTA4H P09960 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL750797 0.90 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL6115434 0.81 HDAC2 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
Hydrochloric Acid SCHEMBL6115107 0.80 HDAC2 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL2585974 0.79 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL29497350 0.74 GABRD (0.40) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL1471253 0.73 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3MMP13MEN1
Hydrochloric Acid SCHEMBL1471517 0.72 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MMP13MEN1
SCHEMBL747612 0.72 CYP1A2 (0.34) SLC6A4SLC6A2SLC6A3MAPTMEN1
SCHEMBL6115128 0.71 HDAC1 (0.37) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL746533 0.71 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3DRD2HTR2C

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-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 SLC6A4 3444/4885SLC6A2 3996/4885SLC6A3 4065/4885
US-20120129830-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF HDAC7, NR3C2, EPOR SLC6A4 3731/4885SLC6A2 2151/4885SLC6A3 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.