SCHEMBL748392

SCHEMBL748392

CN1[C@@H]2CC[C@H]1C[C@@H](Nc1cccc(Br)c1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
HRH1 P35367 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR3A P46098 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL748393 1.00 HTR3E (0.50) HTR3EHTR3BCHRM4CHRM5CHRNB2
SCHEMBL6889232 0.94 HTR3E (0.58) HTR3EHTR3BCHRM4CHRM5CHRNB2
SCHEMBL6886381 0.94 HTR3E (0.58) HTR3EHTR3BCHRM4CHRM5CHRNB2
SCHEMBL7464902 0.80 CHRM4 (0.54) HTR3EHTR3BCHRM4CHRM5CHRNB2
SCHEMBL7457968 0.79 LMNA (0.49) HTR3ASLC6A3CHRM1CHRM2CHRM3
SCHEMBL1556080 0.78 RAPGEF4 (0.46) MEN1KMT2ARAPGEF4
SCHEMBL748003 0.78 CHRNB2 (0.43) HTR3EHTR3BCHRM4CHRM5CHRNB2
SCHEMBL748002 0.78 CHRNB2 (0.43) HTR3EHTR3BCHRM4CHRM5CHRNB2
Hydrochloric Acid SCHEMBL3389236 0.77 RAPGEF4 (0.44) MEN1KMT2ARAPGEF4
SCHEMBL6890085 0.77 HTR3A (0.51) HTR3EHTR3BCHRM4CHRM5CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 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 (2 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 HTR3E 2605/4885HTR3B 2524/4885CHRM4 3859/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 HTR3E 2605/4885HTR3B 2524/4885CHRM4 3859/4885

“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.