SCHEMBL744500

SCHEMBL744500

CC(C)(C)N(C(=O)O)[C@@H]1CCN(C2CCCCC2O)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 13/20 0.42
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL746181 1.00 SLC18A3 (0.42) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL746182 1.00 SLC18A3 (0.42) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL1307428 0.81 ALDH1A1 (0.40) SIGMAR1ALDH1A1
SCHEMBL2577531 0.80 MEN1 (0.38) SIGMAR1ALDH1A1
SCHEMBL1307534 0.79 CCR5 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL17185105 0.77 TDP1 (0.38) SLC18A3SIGMAR1ALDH1A1
SCHEMBL1306995 0.76 ALDH1A1 (0.42) SLC18A3SIGMAR1ALDH1A1
SCHEMBL745470 0.75 SIGMAR1 (0.41) SLC18A3SIGMAR1ALDH1A1
SCHEMBL2127377 0.75 SIGMAR1 (0.41) SLC18A3SIGMAR1ALDH1A1
SCHEMBL745471 0.75 SIGMAR1 (0.41) SLC18A3SIGMAR1ALDH1A1

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 4 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
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP disclosed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US disclosed
US-7985730-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2011-07-26 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-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 SLC18A3 2324/4885CYP2D6 1643/4885TSHR 332/4885

“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.