SCHEMBL3841552

SCHEMBL3841552

CC(C)(C)OC(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.69
KCNH2 Q12809 5/20 0.69
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49

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
SCHEMBL4391767 0.90 CCR5 (0.57) CCR5KCNH2
SCHEMBL3844128 0.86 CCR5 (0.69) CCR5KCNH2
SCHEMBL4306735 0.82 KMT2A (0.57) CCR5KCNH2JAK2JAK1
SCHEMBL3841540 0.82 CCR5 (1.00) CCR5KCNH2
SCHEMBL4207954 0.82 CCR5 (0.59) CCR5KCNH2JAK2JAK1
SCHEMBL4197561 0.82 KEAP1 (0.48) CCR5KCNH2JAK2JAK1
SCHEMBL4309350 0.81 MEN1 (0.67) JAK2JAK1
SCHEMBL4239118 0.81 GPR119 (0.56) CCR5JAK2JAK1
SCHEMBL4306235 0.81 MEN1 (0.53) CCR5JAK2JAK1
SCHEMBL4240396 0.80 ALDH1A1 (0.53) CCR5KCNH2JAK2JAK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551827-B1 PIPERIDINE DERIVATIVES AS CCR5 INHIBITORS NOVARTIS AG (CH) 2009-12-02 EP disclosed
EP-1379504-B1 BIPIPERIDINYL-DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTORS INHIBITORS NOVARTIS PHARMA GMBH (AT) 2009-10-28 EP disclosed
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors NOVARTIS AG 2008-10-09 US disclosed
US-7399771-B2 Piperidine derivatives as CCR5 inhibitors NOVARTIS AG (CH) 2008-07-15 US disclosed
US-20060004047-A1 Piperidine derivatives as ccr5 inhibitors NOVARTIS AG (CH) 2006-01-05 US disclosed
US-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors NOVARTIS 2004-07-22 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 (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-20060004047-A1 Piperidine derivatives as ccr5 inhibitors CCR5, CCR2, CCR1 CCR5 1/4885KCNH2 2183/4885JAK2 261/4885
US-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors CCR5, CCR2, CXCR3 CCR5 1/4885KCNH2 4158/4885JAK2 967/4885
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors CCR5, CCR2, CCR1 CCR5 1/4885KCNH2 2095/4885JAK2 233/4885

“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.