SCHEMBL1053063

SCHEMBL1053063

CCOC(=O)N1CCc2c(nc(C)n2[C@H]2C[C@H]3CC[C@@H](C2)N3CC[C@H](NC(C)=O)c2cccc(F)c2)C1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.91
▸ CCR5 P51681 12/20 0.83

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
SCHEMBL1079565 1.00 KCNH2 (0.91) KCNH2CCR5
SCHEMBL30227462 1.00 KCNH2 (0.91) KCNH2CCR5
SCHEMBL1198749 0.95 KCNH2 (1.00) KCNH2CCR5
SCHEMBL1080663 0.95 KCNH2 (1.00) KCNH2CCR5
SCHEMBL30227220 0.95 KCNH2 (1.00) KCNH2CCR5
Water SCHEMBL4012865 0.94 KCNH2 (0.99) KCNH2CCR5
SCHEMBL13719481 0.94 CCR5 (0.91) KCNH2CCR5
Water SCHEMBL4012863 0.94 KCNH2 (0.99) KCNH2CCR5
SCHEMBL3070604 0.93 KCNH2 (1.00) KCNH2CCR5
SCHEMBL3070606 0.93 KCNH2 (1.00) KCNH2CCR5

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 58 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
US-20140271680-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PULMONARY HYPERTENSION UNIVERSITE PARIS-EST CRETEIL VAL DE MARNE (FR) 2014-09-18 — — US 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
US-20130023496-A1 Combination Therapy Comprising A CCR5 Antagonist, A HIV-1 Protease Inhibtior and a Pharmacokinetic Enhancer PHIVCO-1 LLC 2013-01-24 — — US 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-1937639-B1 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) PFIZER PROD INC (US) 2010-03-03 — — EP claimed
EP-1937639-A2 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) Pfizer Products Incorporated (US) 2008-07-02 — — EP claimed
WO-2007034312-A2 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) PFIZER PRODUCTS INC. (US) 2007-03-29 — — 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-20130023496-A1 Combination Therapy Comprising A CCR5 Antagonist, A HIV-1 Protease Inhibtior and a Pharmacokinetic Enhancer PHIVCO-1 LLC 2013-01-24 — — US disclosed
EP-1740550-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV Pfizer Limited (GB) 2007-01-10 — — EP disclosed
WO-2006077499-A1 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2006-07-27 — — WO disclosed
EP-1618874-A2 PREVENTION OF HIV-1 INFECTION BY INHIBITION OF RHO-MEDIATED REORGANISATION AND/OR CONTENT ALTERATION OF CELL MEMBRANE RAFT DOMAINS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2006-01-25 — — EP disclosed
WO-2005100322-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV PFIZER LIMITED (GB) 2005-10-27 — — WO disclosed
US-20050131011-A1 Chemical compounds PFIZER, INC. 2005-06-16 — — US disclosed
US-20050043300-A1 Piperazine derivatives PFIZER INC. 2005-02-24 — — 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 (3 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-20100267765-A1 Pharmaceutical Compositions and Methods for CCR5 Antagonists CETP, CCR5, MTTP KCNH2 4441/4885CCR5 2/4885
US-20050043300-A1 Piperazine derivatives CD4, CCR5, RRP15 KCNH2 665/4885CCR5 2/4885
US-20050131011-A1 Chemical compounds CCR5, CCR2, CX3CR1 KCNH2 3565/4885CCR5 1/4885

“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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