SCHEMBL13733669

SCHEMBL13733669

CNC[C@@H]1C[C@]1(C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.48
SLC6A2 P23975 1/20 0.48
TACR3 P29371 2/20 0.47
SLC6A3 Q01959 11/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR2 P41597 2/20 0.42

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
SCHEMBL15464165 1.00 SLC6A4 (0.48) SLC6A4SLC6A2TACR3SLC6A3MEN1
SCHEMBL13733972 0.87 SLC6A4 (0.46) SLC6A4SLC6A2TACR3SLC6A3
SCHEMBL13735130 0.87 SLC6A4 (0.46) SLC6A4SLC6A2TACR3SLC6A3
SCHEMBL15464200 0.87 SLC6A4 (0.46) SLC6A4SLC6A2TACR3SLC6A3
Fumaric Acid SCHEMBL13734609 0.83 TACR3 (0.44) SLC6A4SLC6A2TACR3SLC6A3
Fumaric Acid SCHEMBL13734608 0.83 TACR3 (0.44) SLC6A4SLC6A2TACR3SLC6A3
SCHEMBL3742127 0.83 SLC6A3 (0.46) SLC6A4SLC6A2TACR3SLC6A3MEN1
SCHEMBL2473703 0.82 SLC6A3 (0.45) SLC6A4TACR3SLC6A3MEN1NPC1
SCHEMBL13734928 0.81 SLC6A4 (0.36) SLC6A4SLC6A2TACR3SLC6A3
SCHEMBL13735536 0.81 SLC6A2 (0.48) SLC6A4SLC6A2TACR3SLC6A3MEN1

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-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
US-20140045936-A1 CYCLOPROPYL DERIVATIVES AND METHODS OF USE WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2014-02-13 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 (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 SLC6A4 102/4885SLC6A2 472/4885TACR3 2372/4885
US-10207984-B2 Cyclopropyl derivatives and methods of use CNR2, FKBP8, FKBP5 SLC6A4 102/4885SLC6A2 472/4885TACR3 2372/4885
US-20140045936-A1 CYCLOPROPYL DERIVATIVES AND METHODS OF USE CNR2, FKBP8, FKBP5 SLC6A4 102/4885SLC6A2 472/4885TACR3 2372/4885

“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.