SCHEMBL5076337

SCHEMBL5076337

Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 1.00
▸ CHRM2 P08172 16/20 1.00
▸ CHRM1 P11229 4/20 1.00
▸ CHRM3 P20309 2/20 1.00

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
SCHEMBL5076339 1.00 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL14529305 1.00 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL10073315 0.91 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL4979182 0.91 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL4453513 0.91 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL4979191 0.91 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL28781069 0.91 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL12531292 0.90 CCR5 (0.86) CCR5CHRM2CHRM1CHRM3
SCHEMBL13036677 0.90 CCR5 (0.81) CCR5CHRM2CHRM1CHRM3
SCHEMBL12542219 0.90 CCR5 (0.81) CCR5CHRM2CHRM1CHRM3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 — — WO disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 — — US disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 — — US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 — — US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 — — US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 — — US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 — — US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 — — US disclosed
US-20080108586-A1 COMBINATION THERAPY FOR HUMAN IMMUNODEFICIENCY VIRUS INFECTION INCYTE CORPORATION (US) 2008-05-08 — — US disclosed
WO-2007050375-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2007-05-03 — — WO 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 (2 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 CCR5 1/4885CHRM2 117/4885CHRM1 165/4885
US-20080108586-A1 COMBINATION THERAPY FOR HUMAN IMMUNODEFICIENCY VIRUS INFECTION CCR5, HAVCR2, CXCR3 CCR5 1/4885CHRM2 1926/4885CHRM1 2653/4885

“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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