SCHEMBL3841257

SCHEMBL3841257

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.61
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GPR119 Q8TDV5 4/20 0.53
USP30 Q70CQ3 2/20 0.50
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OGFRL1 Q5TC84 1/20 0.47
STS P08842 1/20 0.46

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
SCHEMBL3839871 0.94 CCR5 (0.55) CCR5MEN1KMT2AGPR119USP30
SCHEMBL3837667 0.93 MEN1 (0.61) CCR5MEN1KMT2AGPR119USP30
SCHEMBL18263756 0.86 MEN1 (0.60) MEN1KMT2AGPR119USP30KDM4E
SCHEMBL3842743 0.86 MEN1 (0.57) MEN1KMT2AGPR119USP30JAK2
SCHEMBL18263728 0.86 MEN1 (0.72) MEN1KMT2AGPR119USP30JAK2
SCHEMBL18263761 0.83 MEN1 (0.60) CCR5MEN1KMT2AGPR119USP30
SCHEMBL2792425 0.81 MEN1 (0.60) MEN1KMT2AGPR119USP30JAK2
SCHEMBL3844128 0.81 CCR5 (0.69) CCR5
SCHEMBL4386525 0.81 GPR119 (0.56) CCR5MEN1KMT2AGPR119USP30
SCHEMBL4498115 0.80 OPRD1 (0.62) MEN1KMT2AGPR119USP30OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379504-B1 BIPIPERIDINYL-DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTORS INHIBITORS NOVARTIS PHARMA GMBH (AT) 2009-10-28 EP 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 (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-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors CCR5, CCR2, CXCR3 CCR5 1/4885MEN1 4870/4885KMT2A 4856/4885

“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.