SCHEMBL3720052

SCHEMBL3720052

OC1CC2(CCN(c3ccc(-c4ccc(F)cc4)cn3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
CNR2 P34972 1/20 0.41
TDO2 P48775 2/20 0.40
DGAT1 O75907 6/20 0.39
SCN9A Q15858 1/20 0.39
KCNH2 Q12809 4/20 0.39
ADORA2A P29274 1/20 0.39
RET P07949 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
SCD O00767 1/20 0.37
ACAT1 P24752 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
DRD2 P14416 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
SCHEMBL3726649 0.87 RET (0.46) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL3719971 0.82 DGAT1 (0.43) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL9993397 0.81 GPR119 (0.42) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL15655279 0.81 DRD4 (0.42) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL9994157 0.78 AKR1C3 (0.46) RETCYP3A4CYP2C9ALDH1A1CYP2D6
SCHEMBL15638362 0.78 GRIN2D (0.43) DGAT1SCN9AKCNH2RETCYP3A4
SCHEMBL15653977 0.76 DGAT1 (0.40) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL5238753 0.75 DRD4 (0.55) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL3723106 0.75 MCHR1 (0.40) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL3802545 0.75 DRD4 (0.45) DRD4DRD3HTR1AHTR2ASLC6A4

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-8889702-B2 Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-11-18 US disclosed
EP-2393809-B1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 US disclosed
EP-2393809-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 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-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT9, IDH3B, DHFR DRD4 1888/4885DRD3 2047/4885HTR1A 3930/4885

“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.