SCHEMBL3674402

SCHEMBL3674402

N#Cc1ccc(CC(=O)NC2CCN(CCc3ccc(C(N)=O)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
KCNH2 Q12809 5/20 0.50
KCNJ1 P48048 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PRKAA2 P54646 3/20 0.49
DRD4 P21917 2/20 0.47
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
OGA O60502 1/20 0.47
CACNA1F O60840 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD2 P14416 1/20 0.47
CNR1 P21554 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 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
SCHEMBL3637147 0.83 L3MBTL1 (0.57) SIGMAR1L3MBTL1PRKAA2OGAMCHR1
SCHEMBL3643385 0.82 L3MBTL1 (0.56) SIGMAR1L3MBTL1PRKAA2OGAMCHR1
SCHEMBL3587044 0.82 KCNH2 (0.60) SIGMAR1KCNH2KCNJ1L3MBTL1PRKAA2
Hydrochloric Acid SCHEMBL4209320 0.81 L3MBTL1 (0.55) SIGMAR1L3MBTL1PRKAA2OGAMCHR1
SCHEMBL7105933 0.77 LMNA (0.63) SIGMAR1PRKAA2OGA
SCHEMBL3674400 0.77 CCR3 (0.58) SIGMAR1PRKAA2ADRA1DADRA1AADRA1B
SCHEMBL3641995 0.77 CCR5 (0.67) SIGMAR1DRD4HRH2HRH1CACNA1F
SCHEMBL3640922 0.77 SIGMAR1 (0.58) SIGMAR1L3MBTL1PRKAA2
SCHEMBL3638459 0.77 OGA (0.55) SIGMAR1L3MBTL1PRKAA2OGAMCHR1
SCHEMBL3814195 0.76 KCNA3 (0.64) SIGMAR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173715-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY Euroscreen S.A. (BE) 2010-04-14 EP disclosed
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 US disclosed
WO-2009010478-A2 USE OF PIPERIDINE DERIVATIVES AS AGONISTS OF CHEMOKINE RECEPTOR ACTIVITY EUROSCREEN S.A. (BE) 2009-01-22 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-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity ACKR3, CCR5, CCR7 SIGMAR1 129/4885KCNH2 1431/4885KCNJ1 2515/4885

“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.