SCHEMBL6468876

SCHEMBL6468876

O=C(c1ccc(Cl)cc1)N1CCN([C@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SLC6A7 Q99884 2/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ TACR3 P29371 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 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
SCHEMBL2398207 1.00 MGLL (0.42) MGLLHSD17B10SLC6A7HCRTR1HCRTR2
SCHEMBL6371864 0.85 GBA1 (0.46) MGLLHSD17B10SLC6A7HCRTR1HCRTR2
SCHEMBL6468540 0.84 HSD17B10 (0.48) MGLLHSD17B10SLC6A7HCRTR1HCRTR2
SCHEMBL1257628 0.84 HSD17B10 (0.48) MGLLHSD17B10SLC6A7HCRTR1HCRTR2
SCHEMBL6467775 0.84 GBA1 (0.44) MGLLHSD17B10MAPTHSP90AA1POLB
SCHEMBL1258661 0.84 GBA1 (0.44) MGLLHSD17B10MAPTHSP90AA1POLB
SCHEMBL1256000 0.84 SLC6A7 (0.56) MGLLHSD17B10SLC6A7HCRTR1HCRTR2
SCHEMBL1257428 0.84 SLC6A7 (0.56) MGLLHSD17B10SLC6A7HCRTR1HCRTR2
SCHEMBL2401257 0.84 SLC6A7 (0.56) MGLLHSD17B10SLC6A7HCRTR1HCRTR2
SCHEMBL1258676 0.82 MEN1 (0.59) MGLLHRH3MAPTCYP1A2ALDH1A1

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
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-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 (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-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists ACKR3, CCR5, CCR2 MGLL 3512/4885HSD17B10 3762/4885SLC6A7 445/4885

“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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