SCHEMBL2127377

SCHEMBL2127377

CC(C)(C)N(C(=O)O)[C@@H]1CCN([C@H]2CCCC[C@@H]2OCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR1 P25103 7/20 0.41
SLC18A3 Q16572 3/20 0.39
KLK7 P49862 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
CTSF Q9UBX1 1/20 0.37
FKBP1A P62942 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL745471 1.00 SIGMAR1 (0.41) SIGMAR1MEN1ALDH1A1KMT2ATACR1
SCHEMBL745470 1.00 SIGMAR1 (0.41) SIGMAR1MEN1ALDH1A1KMT2ATACR1
SCHEMBL1426284 0.76 OPRM1 (0.42) SIGMAR1ALDH1A1TACR1SLC18A3KLK7
SCHEMBL3675920 0.76 KMT2A (0.51) KMT2AKLK7CTSLCTSBCTSK
SCHEMBL10281391 0.76 KMT2A (0.51) KMT2AKLK7CTSLCTSBCTSK
SCHEMBL12209029 0.76 KMT2A (0.51) KMT2AKLK7CTSLCTSBCTSK
SCHEMBL743818 0.75 CTSL (0.45) SIGMAR1MEN1ALDH1A1KMT2ASLC18A3
SCHEMBL743817 0.75 CTSL (0.45) SIGMAR1MEN1ALDH1A1KMT2ASLC18A3
SCHEMBL14917502 0.75 CTSL (0.45) SIGMAR1MEN1ALDH1A1KMT2ASLC18A3
SCHEMBL743816 0.75 CTSL (0.45) SIGMAR1MEN1ALDH1A1KMT2ASLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 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 (1 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 SIGMAR1 282/4885MEN1 4347/4885ALDH1A1 2501/4885

“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.