SCHEMBL13733362

SCHEMBL13733362

CNCC1CC1(C(=O)OC)c1ccc(Br)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SIGMAR1 Q99720 2/20 0.40
ADAM17 P78536 2/20 0.40
HTR2C P28335 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL13733361 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SIGMAR1ADAM17HTR2C
SCHEMBL13735638 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SIGMAR1ADAM17HTR2C
SCHEMBL13735536 0.88 SLC6A2 (0.48) SLC6A2SLC6A4SIGMAR1ADAM17HTR2C
SCHEMBL15463990 0.88 SLC6A2 (0.48) SLC6A2SLC6A4SIGMAR1ADAM17HTR2C
SCHEMBL13733224 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SIGMAR1HTR2CTMEM97
SCHEMBL13733225 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SIGMAR1HTR2CTMEM97
SCHEMBL15463776 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SIGMAR1HTR2CTMEM97
SCHEMBL13733972 0.83 SLC6A4 (0.46) SLC6A2SLC6A4SIGMAR1ADAM17TMEM97
SCHEMBL15463729 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SIGMAR1
SCHEMBL15464200 0.83 SLC6A4 (0.46) SLC6A2SLC6A4SIGMAR1ADAM17TMEM97

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-2699539-A2 CYCLOPROPYL DERIVATIVES AND METHODS OF USE Emory University (US) 2014-02-26 EP claimed
US-20140045936-A1 CYCLOPROPYL DERIVATIVES AND METHODS OF USE WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2014-02-13 US claimed
WO-2012145234-A2 CYCLOPROPYL DERIVATIVES AND METHODS OF USE EMORY UNIVERSITY (US) 2012-10-26 WO claimed
US-10207984-B2 Cyclopropyl derivatives and methods of use EMORY UNIVERSITY (US) 2019-02-19 US disclosed
US-20160244403-A1 Cyclopropyl Derivatives and Methods of Use UNIV EMORY (US) 2016-08-25 US disclosed
EP-2699539-A2 CYCLOPROPYL DERIVATIVES AND METHODS OF USE Emory University (US) 2014-02-26 EP disclosed
US-20140045936-A1 CYCLOPROPYL DERIVATIVES AND METHODS OF USE WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2014-02-13 US disclosed
WO-2012145234-A2 CYCLOPROPYL DERIVATIVES AND METHODS OF USE EMORY UNIVERSITY (US) 2012-10-26 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 (3 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-20160244403-A1 Cyclopropyl Derivatives and Methods of Use CNR2, FKBP8, FKBP5 SLC6A2 472/4885SLC6A4 102/4885SIGMAR1 1616/4885
US-10207984-B2 Cyclopropyl derivatives and methods of use CNR2, FKBP8, FKBP5 SLC6A2 472/4885SLC6A4 102/4885SIGMAR1 1616/4885
US-20140045936-A1 CYCLOPROPYL DERIVATIVES AND METHODS OF USE CNR2, FKBP8, FKBP5 SLC6A2 472/4885SLC6A4 102/4885SIGMAR1 1616/4885

“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.