SCHEMBL2400537

SCHEMBL2400537

O=C(c1ccc(Cl)cc1)N1CCN([C@H]2CN(c3cnc4ccc(Cl)cc4n3)C[C@@H]2O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HRH4 Q9H3N8 2/20 0.41
▸ 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
▸ CCNK O75909 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK7 P50613 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
SCHEMBL2399174 1.00 HPGD (0.46) HPGDMAPTKMT2AMEN1MAPK1
SCHEMBL1257914 0.96 HRH4 (0.46) HPGDMAPTKMT2AMEN1MAPK1
SCHEMBL6372844 0.96 HRH4 (0.46) HPGDMAPTKMT2AMEN1MAPK1
SCHEMBL12916739 0.91 KDM4E (0.47) MAPTSMN1; SMN2HSD17B10HCRTR1HCRTR2
SCHEMBL6372053 0.91 KDM4E (0.47) MAPTSMN1; SMN2HSD17B10HCRTR1HCRTR2
SCHEMBL1255999 0.91 KDM4E (0.47) MAPTSMN1; SMN2HSD17B10HCRTR1HCRTR2
SCHEMBL1258353 0.91 HCRTR1 (0.45) HPGDTP53HSD17B10HCRTR1HCRTR2
SCHEMBL6372182 0.91 HCRTR1 (0.45) HPGDTP53HSD17B10HCRTR1HCRTR2
SCHEMBL1258218 0.86 HRH3 (0.49) MAPTKMT2AMEN1MAPK1STAT3
SCHEMBL6373344 0.86 HRH3 (0.49) MAPTKMT2AMEN1MAPK1STAT3

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 14 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-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-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-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 HPGD 248/4885MAPT 4863/4885KMT2A 4131/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 HPGD 248/4885MAPT 4863/4885KMT2A 4131/4885
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 HPGD 248/4885MAPT 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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