SCHEMBL6372844

SCHEMBL6372844

O=C(c1ccc(Cl)cc1)N1CCN([C@H]2CN(c3cnc4cc(Cl)ccc4n3)C[C@@H]2O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ GBA1 P04062 1/20 0.40
▸ SLC6A7 Q99884 1/20 0.40
▸ MDM2 Q00987 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CCNK O75909 2/20 0.39

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
SCHEMBL1257914 1.00 HRH4 (0.46) HRH4MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL2400537 0.96 HPGD (0.46) HRH4MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL2399174 0.96 HPGD (0.46) HRH4MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL12916739 0.91 KDM4E (0.47) MAPTSMN1; SMN2HSD17B10HCRTR1HCRTR2
SCHEMBL1255999 0.91 KDM4E (0.47) MAPTSMN1; SMN2HSD17B10HCRTR1HCRTR2
SCHEMBL6372053 0.91 KDM4E (0.47) MAPTSMN1; SMN2HSD17B10HCRTR1HCRTR2
SCHEMBL6372182 0.91 HCRTR1 (0.45) TP53HPGDHSD17B10HCRTR1HCRTR2
SCHEMBL1258353 0.91 HCRTR1 (0.45) TP53HPGDHSD17B10HCRTR1HCRTR2
SCHEMBL1258218 0.86 HRH3 (0.49) HRH4MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6373344 0.86 HRH3 (0.49) HRH4MAPTKMT2ASMN1; SMN2MEN1

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 11 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-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-11 — — US disclosed
US-8648197-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-11 — — US disclosed
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-16 — — US disclosed
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-16 — — US disclosed
US-8168788-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-01 — — 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
US-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
US-7880002-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-01 — — US disclosed
US-7880002-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-01 — — 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-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists ACKR3, CCR5, CCR2 HRH4 346/4885MAPT 4863/4885KMT2A 4131/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 HRH4 346/4885MAPT 4863/4885KMT2A 4131/4885
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 HRH4 346/4885MAPT 4863/4885KMT2A 4131/4885

“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.

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