SCHEMBL1198671

SCHEMBL1198671

COC(=O)N1CCc2nc(C)n([C@H]3C[C@H]4CC[C@@H](C3)N4CC[C@H](NC(C)=O)c3cccc(F)c3)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 12/20 1.00
▸ KCNH2 Q12809 8/20 0.89

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
SCHEMBL30227339 1.00 CCR5 (1.00) CCR5KCNH2
SCHEMBL1198672 1.00 CCR5 (1.00) CCR5KCNH2
SCHEMBL13719481 0.95 CCR5 (0.91) CCR5KCNH2
SCHEMBL5632676 0.95 CCR5 (1.00) CCR5KCNH2
SCHEMBL4015700 0.95 CCR5 (1.00) CCR5KCNH2
SCHEMBL1080663 0.94 KCNH2 (1.00) CCR5KCNH2
SCHEMBL1198749 0.94 KCNH2 (1.00) CCR5KCNH2
SCHEMBL30227220 0.94 KCNH2 (1.00) CCR5KCNH2
SCHEMBL13719329 0.94 CCR5 (0.88) CCR5KCNH2
Water SCHEMBL4012865 0.94 KCNH2 (0.99) CCR5KCNH2

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2741777-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PULMONARY HYPERTENSION INSERM - INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2017-01-18 — — EP claimed
EP-2741777-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PULMONARY HYPERTENSION INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2014-06-18 — — EP claimed
WO-2013024022-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PULMONARY HYPERTENSION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2013-02-21 — — WO claimed
EP-2552429-A1 COMBINATION THERAPY COMPRISING A CCR5 ANTAGONIST, A HIV-1 PROTEASE INHIBITOR AND A PHARMACOKINETIC ENHANCER Phivco-1 LLC (US) 2013-02-06 — — EP claimed
WO-2011121558-A1 COMBINATION THERAPY COMPRISING A CCR5 ANTAGONIST, A HIV-1 PROTEASE INHIBITOR AND A PHARMACOKINETIC ENHANCER PHIVCO-1 LLC (US) 2011-10-06 — — WO claimed
US-20100267765-A1 Pharmaceutical Compositions and Methods for CCR5 Antagonists FELSTEAD STEPHEN JOHN 2010-10-21 — — US claimed
EP-2120928-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR CCR5 ANTAGONISTS Pfizer Limited (GB) 2009-11-25 — — EP claimed
US-20090247570-A1 PHARMACEUTICALS PFIZER INC 2009-10-01 — — US claimed
EP-2043640-A2 CCR5 ANTAGONIST FOR ENHANCING IMMUNE RECONSTITUTION AND TREATING OPPORTUNISTIC INFECTION IN HIV PATIENTS Pfizer Products Inc. (US) 2009-04-08 — — EP claimed
WO-2008099278-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR CCR5 ANTAGONISTS PFIZER LIMITED (GN) 2008-08-21 — — WO claimed
WO-2007144720-A2 CCR5 ANTAGONIST FOR ENHANCING IMMUNE RECONSTITUTION AND TREATING OPPORTUNISTIC INFECTION IN HIV PATIENTS PFIZER PRODUCTS INC. (US) 2007-12-21 — — WO claimed
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 — — EP disclosed
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
EP-2741777-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PULMONARY HYPERTENSION INSERM - INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2017-01-18 — — EP disclosed
US-20140271680-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PULMONARY HYPERTENSION UNIVERSITE PARIS-EST CRETEIL VAL DE MARNE (FR) 2014-09-18 — — US disclosed
US-20050107424-A1 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. 2005-05-19 — — US disclosed
WO-2005033107-A1 IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION PFIZER LIMITED (GB) 2005-04-14 — — WO disclosed
US-20050043300-A1 Piperazine derivatives PFIZER INC. 2005-02-24 — — US disclosed
US-6855724-B2 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. (US) 2005-02-15 — — US disclosed
US-20040014742-A1 Antiinflammatory agents; viricides PFIZER INC. 2004-01-22 — — 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-20040014742-A1 Antiinflammatory agents; viricides CCR5, CXCR1, CCR1 CCR5 1/4885KCNH2 2928/4885
US-20050107424-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 CCR5 1/4885KCNH2 3530/4885
US-20100267765-A1 Pharmaceutical Compositions and Methods for CCR5 Antagonists CETP, CCR5, MTTP CCR5 2/4885KCNH2 4441/4885
US-20050043300-A1 Piperazine derivatives CD4, CCR5, RRP15 CCR5 2/4885KCNH2 665/4885

“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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