SCHEMBL1256000

SCHEMBL1256000

O=C(c1ccc(Cl)cc1)N1CCN([C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 6/20 0.56
▸ PKM P14618 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.43
▸ HCRTR1 O43613 2/20 0.43
▸ HCRTR2 O43614 2/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ HSP90AA1 P07900 1/20 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
SCHEMBL1257428 1.00 SLC6A7 (0.56) SLC6A7PKMHSD17B10HCRTR1HCRTR2
SCHEMBL2401257 1.00 SLC6A7 (0.56) SLC6A7PKMHSD17B10HCRTR1HCRTR2
SCHEMBL6468540 0.89 HSD17B10 (0.48) SLC6A7PKMHSD17B10HCRTR1HCRTR2
SCHEMBL1257628 0.89 HSD17B10 (0.48) SLC6A7PKMHSD17B10HCRTR1HCRTR2
SCHEMBL6371725 0.87 SLC6A7 (0.50) SLC6A7HSD17B10MEN1MAPTMAPK1
SCHEMBL1258629 0.87 SLC6A7 (0.50) SLC6A7HSD17B10MEN1MAPTMAPK1
SCHEMBL6373569 0.85 SLC6A7 (0.54) SLC6A7HSD17B10HCRTR1HCRTR2MEN1
SCHEMBL6371720 0.85 SLC6A7 (0.54) SLC6A7HSD17B10HCRTR1HCRTR2MEN1
SCHEMBL1257267 0.85 GBA1 (0.51) SLC6A7HSD17B10HCRTR1HCRTR2MEN1
SCHEMBL1256185 0.85 HSD17B10 (0.44) SLC6A7PKMHSD17B10MEN1MAPT

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-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
US-7880002-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-01 — — US disclosed
US-20060172994-A1 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. 2006-08-03 — — 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 (4 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 445/4885PKM 1914/4885HSD17B10 3762/4885
US-20060172994-A1 Compounds useful as chemokine receptor antagonists ACKR3, CCR5, CXCR2 SLC6A7 994/4885PKM 3108/4885HSD17B10 2401/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 SLC6A7 445/4885PKM 1914/4885HSD17B10 3762/4885
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 SLC6A7 445/4885PKM 1914/4885HSD17B10 3762/4885

“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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