SCHEMBL3718111

SCHEMBL3718111

CN1CCN(CCOC(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HRH3 Q9Y5N1 6/20 0.53
TMEM97 Q5BJF2 4/20 0.51
SIGMAR1 Q99720 4/20 0.51
HRH2 P25021 3/20 0.51
HRH1 P35367 3/20 0.51
NAMPT P43490 2/20 0.51
HTR1A P08908 2/20 0.51
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
DRD1 P21728 2/20 0.51
HTR1B P28222 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
HTR1E P28566 1/20 0.51
SLC6A4 P31645 1/20 0.51
PRMT5 O14744 5/20 0.47
WDR77 Q9BQA1 5/20 0.47

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
SCHEMBL3721168 0.92 PRMT5 (0.56) ALDH1A1HRH3TMEM97SIGMAR1PRMT5
SCHEMBL314343 0.81 MC4R (0.60) ALDH1A1SIGMAR1HRH1HTR1AHTR2A
SCHEMBL313962 0.81 HTR1A (0.57) ALDH1A1HRH3TMEM97SIGMAR1HRH2
SCHEMBL314299 0.79 SLC18A3 (0.67) ALDH1A1HRH3SIGMAR1PRMT5WDR77
SCHEMBL3662555 0.78 NPC1 (0.60) ALDH1A1HRH3HRH2HRH1HTR1A
SCHEMBL314201 0.78 ALDH1A1 (0.56) ALDH1A1HTR1AHTR1BDRD3
SCHEMBL6677698 0.77 NOTUM (0.57) ALDH1A1NAMPTNOTUM
Formic Acid SCHEMBL314781 0.77 HTR1A (0.52) ALDH1A1HRH3TMEM97SIGMAR1HRH2
SCHEMBL313776 0.77 PRMT5 (0.64) ALDH1A1HRH3SIGMAR1PRMT5WDR77
SCHEMBL3721043 0.76 NOTUM (0.55) ALDH1A1PRMT5WDR77NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026993-A New compounds III BIOVITRUM AB PUBL 2011-04-20 CN claimed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US claimed
CN-102026993-A New compounds III BIOVITRUM AB PUBL 2011-04-20 CN disclosed
EP-2227461-A1 NEW COMPOUNDS III AstraZeneca AB (Publ) (SE) 2010-09-15 EP disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 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-20090176798-A1 New compounds III GPR119, FABP4, GLP1R ALDH1A1 2912/4885HRH3 3759/4885TMEM97 843/4885

“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.