SCHEMBL1335684

SCHEMBL1335684

c1cc(C2CC3CCC(C2)N3)cs1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 2/20 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
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL12534035 0.74 HCAR2 (0.36) HCAR2CHRM1CHRM2CHRM4CHRM5
SCHEMBL18825946 0.73 KDR (0.41) HCAR2CHRM1CHRM2CHRM4CHRM5
SCHEMBL6227963 0.71 KDM1A (0.53) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
Formaldehyde SCHEMBL27083167 0.71 HCAR2 (0.40) HCAR2CHRM1CHRM2CHRM4CHRM5
SCHEMBL146605 0.71 KDR (0.43) HCAR2CHRM1CHRM2CHRM4CHRM5
Cyanide SCHEMBL27524019 0.71 HCAR2 (0.36) HCAR2CHRM1CHRM2CHRM4CHRM5
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
SCHEMBL4877165 0.69 CYP2A6 (0.49) ALDH1A1

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 HCAR2 704/4885SLC6A4 661/4885SLC6A2 483/4885

“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.