SCHEMBL2084666

SCHEMBL2084666

CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C12CCN(Cc1ccc(Cl)cc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 1.00
CCR5 P51681 19/20 0.65
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL6612247 0.96 CXCR3 (0.92) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2085434 0.93 CXCR3 (0.87) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2087598 0.92 CXCR3 (0.85) CXCR3CCR5
SCHEMBL2082357 0.92 CXCR3 (0.85) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2084517 0.92 CXCR3 (0.85) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2085493 0.91 CXCR3 (0.84) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2085867 0.91 CXCR3 (0.82) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2086961 0.89 CXCR3 (0.81) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2084487 0.89 CXCR3 (0.81) CXCR3CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2085845 0.89 CXCR3 (0.81) CXCR3CCR5CYP3A4CYP2D6CYP2C9

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-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US claimed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP claimed
US-11359011-B2 Treatment and prevention of cardiovascular disease Edifice Health, Inc. (US) 2022-06-14 US disclosed
US-20210380672-A1 Treatment and Prevention of Cardiovascular Disease Edifice Health, Inc. (US) 2021-12-09 US disclosed
US-20210315921-A1 Compounds and Methods for Modifying iAge Edifice Health, Inc. (US) 2021-10-14 US disclosed
US-20210040195-A1 Treatment and Prevention of Cardiovascular Disease Edifice Health, Inc. (US) 2021-02-11 US disclosed
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP disclosed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP 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 (5 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-20210380672-A1 Treatment and Prevention of Cardiovascular Disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885CCR5 887/4885CYP3A4 4458/4885
US-20210315921-A1 Compounds and Methods for Modifying iAge LIPG, IFNG, CD40LG CXCR3 244/4885CCR5 557/4885CYP3A4 2533/4885
US-20210040195-A1 Treatment and Prevention of Cardiovascular Disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885CCR5 887/4885CYP3A4 4458/4885
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF CXCR3, CFTR, CXCR1 CXCR3 1/4885CCR5 10/4885CYP3A4 565/4885
US-11359011-B2 Treatment and prevention of cardiovascular disease SERPINA6, FABP3, CXCL8 CXCR3 835/4885CCR5 887/4885CYP3A4 4458/4885

“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.