SCHEMBL1079565

SCHEMBL1079565

CCOC(=O)N1CCc2c(nc(C)n2C2CC3CCC(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
SCHEMBL1053063 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 54 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-20130039885-A1 LEUKOTOXIN E/D AS A NEW ANTI-INFLAMMATORY AGENT AND MICROBICIDE NEW YORK UNIVERSITY (US) 2013-02-14 — — 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
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
EP-1937639-B1 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) PFIZER PROD INC (US) 2010-03-03 — — EP claimed
US-20090247570-A1 PHARMACEUTICALS PFIZER INC 2009-10-01 — — US 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-9365506-B2 Compounds and compositions as TLR2 agonists NOVARTIS AG (CH) 2016-06-14 — — US disclosed
US-20150225432-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-08-13 — — US disclosed
US-9045470-B2 Compounds and compositions as TLR activity modulators IRM LLC (BM) 2015-06-02 — — US disclosed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 — — EP disclosed
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 — — US disclosed
US-20070185157-A1 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. 2007-08-09 — — US disclosed
US-7217721-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2007-05-15 — — US disclosed
US-7217721-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2007-05-15 — — US disclosed
WO-2007034312-A2 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) PFIZER PRODUCTS INC. (US) 2007-03-29 — — WO 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
WO-2005100322-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV PFIZER LIMITED (GB) 2005-10-27 — — 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-20150225432-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR1, TLR6, TLR7 KCNH2 4580/4885CCR5 352/4885
US-20070185157-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 KCNH2 3530/4885CCR5 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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