SCHEMBL522054

SCHEMBL522054

O[C@@H]1C[C@@H]2CC[C@H]1N2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
SIGMAR1 Q99720 4/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8273913 1.00 CYP3A4 (0.52) CYP3A4TSHRCYP2C19SIGMAR1CHRM2
SCHEMBL522470 1.00 CYP3A4 (0.52) CYP3A4TSHRCYP2C19SIGMAR1CHRM2
SCHEMBL522055 1.00 CYP3A4 (0.52) CYP3A4TSHRCYP2C19SIGMAR1CHRM2
SCHEMBL6615394 0.92 SIGMAR1 (0.51) CYP3A4TSHRCYP2C19SIGMAR1CHRM2
SCHEMBL6615398 0.92 SIGMAR1 (0.51) CYP3A4TSHRCYP2C19SIGMAR1CHRM2
SCHEMBL31045650 0.84 SIGMAR1 (0.47) CYP3A4TSHRCYP2C19SIGMAR1CHRM2
SCHEMBL17595166 0.82 SIGMAR1 (0.51) SIGMAR1CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL694189 0.81 CHRM2 (0.62) CYP2C19CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL16766562 0.81 CHRM2 (0.62) CYP2C19CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL16766586 0.81 CHRM2 (0.62) CYP2C19CHRM2CHRM4CHRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528921-B1 7-AZONIABICYCLO [2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
US-20160296497-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. 2016-10-13 US disclosed
US-9320731-B2 7-azoniabicyclo[2.2.1]heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20140249195-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-8742131-B2 7-azoniabicyclo [2.2.1] heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8426611-B2 7-azoniabicyclo[2.2.1]heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS INC. (US) 2013-04-23 US disclosed
US-20130059898-A1 7-AZONIABICYCLO [2.2.1] HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20120029044-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS INC. 2012-02-02 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 (4 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-20140249195-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 CYP3A4 403/4885TSHR 227/4885CYP2C19 716/4885
US-20130059898-A1 7-AZONIABICYCLO [2.2.1] HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 CYP3A4 342/4885TSHR 317/4885CYP2C19 611/4885
US-20160296497-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 CYP3A4 403/4885TSHR 227/4885CYP2C19 716/4885
US-20120029044-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 CYP3A4 300/4885TSHR 285/4885CYP2C19 547/4885

“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.