SCHEMBL2575130

SCHEMBL2575130

CC(=O)N[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)O)C3)C2)c1cccc(F)c1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.90
▸ CCR5 P51681 12/20 0.86

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
SCHEMBL2575126 1.00 KCNH2 (0.90) KCNH2CCR5
SCHEMBL3070604 0.95 KCNH2 (1.00) KCNH2CCR5
SCHEMBL3070606 0.95 KCNH2 (1.00) KCNH2CCR5
SCHEMBL14633678 0.94 CCR5 (0.86) KCNH2CCR5
SCHEMBL14633680 0.94 CCR5 (0.86) KCNH2CCR5
SCHEMBL1080663 0.93 KCNH2 (1.00) KCNH2CCR5
SCHEMBL1198749 0.93 KCNH2 (1.00) KCNH2CCR5
Pf-232798 SCHEMBL1049072 0.93 CCR5 (1.00) KCNH2CCR5
SCHEMBL3073059 0.93 KCNH2 (0.88) KCNH2CCR5
SCHEMBL3079829 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 7 patents. 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-1937639-B1 PYRIDINAMINOSULFONYL SUBSTITUTED BENZAMIDES AS INHIBITORS OF CYTOCHROME P450 3A4 (CYP3A4) PFIZER PROD INC (US) 2010-03-03 — — EP claimed
EP-1492789-B1 TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2006-06-07 — — EP 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 disclosed
EP-2459216-A2 IMMUNOGENIC COMPOSITIONS INCLUDING TLR ACTIVITY MODULATORS Novartis AG (CH) 2012-06-06 — — EP disclosed
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 disclosed
US-20080299132-A1 Synergistic compositions for treating HIV-1 ROCHE PALO ALTO LLC 2008-12-04 — — 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 (1 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-20080299132-A1 Synergistic compositions for treating HIV-1 CCR5, CD4, HAVCR2 KCNH2 4770/4885CCR5 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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