SCHEMBL1198749

SCHEMBL1198749

COC(=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 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
SCHEMBL30227220 1.00 KCNH2 (1.00) KCNH2CCR5
SCHEMBL1080663 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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-11-26 — — US disclosed
US-9132129-B2 Antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-09-15 — — US disclosed
US-20140315927-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2014-10-23 — — US disclosed
US-8846609-B2 Leukotoxin E/D as a new anti-inflammatory agent and microbicide NEW YORK UNIVERSITY (US) 2014-09-30 — — US disclosed
US-8809363-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2014-08-19 — — US disclosed
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 — — EP disclosed
EP-2640729-A1 INHIBITORS OF HIV REPLICATION VIIV Healthcare UK Limited (GB) 2013-09-25 — — EP disclosed
US-7217721-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2007-05-15 — — US disclosed
US-20070082942-A1 Prevention of hiv-1 infection by inhibition of rho-mediated reorganization and/or content alteration of cell membrane raft CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS 2007-04-12 — — US disclosed
US-20060264448-A1 Purine derivatives PFIZER LIMITED 2006-11-23 — — US disclosed
EP-1492789-B1 TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2006-06-07 — — EP 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
US-20050131011-A1 Chemical compounds PFIZER, INC. 2005-06-16 — — US disclosed
US-20050107424-A1 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. 2005-05-19 — — 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 (7 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-20060264448-A1 Purine derivatives TLR9, TLR7, TLR1 KCNH2 3022/4885CCR5 92/4885
US-20050107424-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 KCNH2 3530/4885CCR5 1/4885
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KCNH2 4125/4885CCR5 25/4885
US-20140315927-A1 Inhibitors of HIV Replication RTF2, POLRMT, MAVS KCNH2 4630/4885CCR5 139/4885
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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