SCHEMBL750797

SCHEMBL750797

Clc1ccc(OC2CC3(CCNCC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
DRD2 P14416 1/20 0.42
HTR2C P28335 2/20 0.40
KCNH2 Q12809 1/20 0.40
HRH1 P35367 2/20 0.40
LTA4H P09960 2/20 0.38
HTR2B P41595 1/20 0.38
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
AKT3 Q9Y243 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL748203 0.90 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL2585974 0.85 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL29497350 0.83 GABRD (0.40) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL6115128 0.80 HDAC1 (0.37) SLC6A4SLC6A2SLC6A3HTR2CHRH1
SCHEMBL23358125 0.77 PARP10 (0.38) HRH1KDM1AMAOB
SCHEMBL187857 0.77 HRH1 (0.66) SLC6A4SLC6A2SLC6A3HTR2CHRH1
Hydrochloric Acid SCHEMBL1808272 0.75 HRH1 (0.63) SLC6A4SLC6A2SLC6A3HTR2CHRH1
SCHEMBL27087180 0.75 CYP3A4 (0.43) KCNH2
Hydrochloric Acid SCHEMBL21071433 0.74 HRH1 (0.61) SLC6A4SLC6A2SLC6A3HTR2CHRH1
SCHEMBL31574722 0.73 HAO1 (0.36) SLC6A4SLC6A2SLC6A3HRH1

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 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.