SCHEMBL4117702

SCHEMBL4117702

CC[C@]1(C(=O)O)CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 9/20 0.35
SLC6A4 P31645 9/20 0.35
SLC6A3 Q01959 9/20 0.35
MMP2 P08253 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
CYP2D6 P10635 7/20 0.32

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
SCHEMBL2423874 1.00 CYP2C19 (0.39) CYP2C19SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL740140 1.00 CYP2C19 (0.39) CYP2C19SLC6A2SLC6A4SLC6A3MMP2
Cadaverine Tartrate SCHEMBL18879377 0.90 CYP2C19 (0.37) CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL29951019 0.88 SLC6A2 (0.39) CYP2C19SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25962718 0.85 SLC6A2 (0.40) CYP2C19SLC6A2SLC6A4SLC6A3MMP2
Hydrochloric Acid SCHEMBL28328339 0.84 SLC6A2 (0.40) CYP2C19SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL28230632 0.81 CYP2C19 (0.39) CYP2C19SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL21937953 0.80 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MMP2MMP14
SCHEMBL10088963 0.79
SCHEMBL2890720 0.79 POLB (0.41) SLC6A2SLC6A4SLC6A3MMP2MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
US-7390825-B1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-24 US disclosed
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 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-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof OXA1L, OTC, ODC1 CYP2C19 122/4885SLC6A2 4780/4885SLC6A4 4502/4885
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF OXA1L, OGFOD1, CYP51A1 CYP2C19 7/4885SLC6A2 4748/4885SLC6A4 4595/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR CYP2C19 1331/4885SLC6A2 3902/4885SLC6A4 3656/4885

“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.