SCHEMBL2399599

SCHEMBL2399599

O=C(c1ccc(Cl)cc1)N1CCN(C2CN(c3nccc(-c4ccc(Cl)cc4)n3)CC2O)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 11/20 0.53
HSD17B10 Q99714 1/20 0.45
SLC6A3 Q01959 1/20 0.44
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.41
MAP4K4 O95819 1/20 0.41
LSS P48449 1/20 0.41

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
SCHEMBL6371729 1.00 SLC6A7 (0.53) SLC6A7HSD17B10SLC6A3HCRTR1HCRTR2
SCHEMBL1258219 0.95 SLC6A7 (0.50) SLC6A7SLC6A3HCRTR1HCRTR2ALDH1A1
SCHEMBL6371790 0.95 SLC6A7 (0.50) SLC6A7SLC6A3HCRTR1HCRTR2ALDH1A1
SCHEMBL6371749 0.93 SLC6A7 (0.51) SLC6A7HSD17B10HCRTR1HCRTR2ALDH1A1
SCHEMBL1257221 0.93 SLC6A7 (0.51) SLC6A7HSD17B10HCRTR1HCRTR2ALDH1A1
SCHEMBL6371725 0.89 SLC6A7 (0.50) SLC6A7HSD17B10SLC6A3ALDH1A1MEN1
SCHEMBL1258629 0.89 SLC6A7 (0.50) SLC6A7HSD17B10SLC6A3ALDH1A1MEN1
SCHEMBL6371720 0.87 SLC6A7 (0.54) SLC6A7HSD17B10HCRTR1HCRTR2ALDH1A1
SCHEMBL6373569 0.87 SLC6A7 (0.54) SLC6A7HSD17B10HCRTR1HCRTR2ALDH1A1
SCHEMBL1258349 0.87 SLC6A7 (0.63) SLC6A7HSD17B10SLC6A3ALDH1A1TSHR

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
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-8168788-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-29 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 (2 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-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists ACKR3, CCR5, CCR2 SLC6A7 445/4885HSD17B10 3762/4885SLC6A3 2586/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 SLC6A7 445/4885HSD17B10 3762/4885SLC6A3 2586/4885

“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.