SCHEMBL1333422

SCHEMBL1333422

c1cc(C2CC3CCC(C2)N3)co1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 3/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
CHRM1 P11229 2/20 0.33
KDM1A O60341 1/20 0.33
ALOX5 P09917 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL1333420 1.00 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL12534028 0.74 ALOX5 (0.35) CHRM1ALOX5CHRM2CHRM4CHRM5
SCHEMBL4869069 0.72 SLC18A3 (0.52)
SCHEMBL12093044 0.71 KDM1A (0.53) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6227963 0.71 KDM1A (0.53) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL31087542 0.71 CYP11B2 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4873529 0.70 PBRM1 (0.35) HTR2AKCNH2CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL23123900 0.69 KDM1A (0.51) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
Hydrochloric Acid SCHEMBL12077002 0.69 KDM1A (0.51) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
Hydrochloric Acid SCHEMBL12077004 0.69 KDM1A (0.51) SLC6A4SLC6A2SLC6A3HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US 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-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD3B1, HSD11B2 SLC6A4 661/4885SLC6A2 483/4885SLC6A3 1053/4885

“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.