SCHEMBL1080663

SCHEMBL1080663

COC(=O)N1CCc2c(nc(C)n2C2CC3CCC(C2)N3CC[C@H](NC(C)=O)c2cccc(F)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 1.00
▸ CCR5 P51681 12/20 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
SCHEMBL1198749 1.00 KCNH2 (1.00) KCNH2CCR5
SCHEMBL30227220 1.00 KCNH2 (1.00) KCNH2CCR5
Water SCHEMBL4012865 0.99 KCNH2 (0.99) KCNH2CCR5
Water SCHEMBL4012863 0.99 KCNH2 (0.99) KCNH2CCR5
Cadaverine Tartrate SCHEMBL5671998 0.96 KCNH2 (0.92) KCNH2CCR5
SCHEMBL30227462 0.95 KCNH2 (0.91) KCNH2CCR5
SCHEMBL1079565 0.95 KCNH2 (0.91) KCNH2CCR5
SCHEMBL1053063 0.95 KCNH2 (0.91) KCNH2CCR5
SCHEMBL1198672 0.94 CCR5 (1.00) KCNH2CCR5
SCHEMBL1198671 0.94 CCR5 (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 101 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
US-20130039885-A1 LEUKOTOXIN E/D AS A NEW ANTI-INFLAMMATORY AGENT AND MICROBICIDE NEW YORK UNIVERSITY (US) 2013-02-14 — — US 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
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-1492789-B1 TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2006-06-07 — — EP claimed
US-9950062-B2 Compounds and compositions as TLR activity modulators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-04-24 — — US disclosed
EP-2473508-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2017-03-08 — — EP disclosed
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 — — US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 — — US 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
EP-1492789-A1 TROPANE DERIVATIVES AS CCR5 MODULATORS Pfizer Limited (GB) 2005-01-05 — — EP disclosed
US-20040014742-A1 Antiinflammatory agents; viricides PFIZER INC. 2004-01-22 — — US disclosed
WO-2003084954-A1 TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LIMITED (GB) 2003-10-16 — — 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 (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 KCNH2 2928/4885CCR5 1/4885
US-20160355528-A1 INHIBITORS OF HIV REPLICATION RTF2, POLRMT, MAVS KCNH2 4630/4885CCR5 139/4885
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

“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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