SCHEMBL14217216

SCHEMBL14217216

CC(C)(C)OC(=O)N1CCC(N2CCN(CC3CCN(C(=O)c4ccccc4)C(Cc4ccccc4)C3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ABCB1 P08183 1/20 0.42
TACR1 P25103 3/20 0.41
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA4 P22748 6/20 0.38
CA9 Q16790 6/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL14217465 0.86 TACR1 (0.56) JAK2JAK1KDM4EPKMTACR1
SCHEMBL12809094 0.81 TACR1 (0.60) JAK2JAK1TACR1STS
SCHEMBL14217426 0.81 TACR1 (0.54) JAK2JAK1TACR1ABHD6DAGLA
SCHEMBL14217215 0.79 CA1 (0.46) ABCB1TACR1CA1CA2CA4
SCHEMBL13756722 0.78 TACR1 (0.57) JAK2JAK1TACR1USP30
SCHEMBL642727 0.77 JAK2 (0.54) JAK2JAK1KDM4EGPR119STS
SCHEMBL642728 0.77 JAK2 (0.54) JAK2JAK1KDM4EGPR119STS
SCHEMBL12809360 0.77 JAK2 (0.42) JAK2JAK1KDM4EPKMTACR1
SCHEMBL14422732 0.77 TACR1 (0.53) TACR1
SCHEMBL27161684 0.76 SMN1; SMN2 (0.48) JAK2JAK1KDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737838-B1 SUBSTITUTED 4-ALKYL- AND 4-ALKANOYL-PIPERIDINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-05-21 EP disclosed
US-20070213346-A1 Substituted 4-Alkyl-And 4-Alkanoyl-Piperidine Derivatives And Their Use As Neurokinin Antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-13 US disclosed
US-20070213346-A1 Substituted 4-Alkyl-And 4-Alkanoyl-Piperidine Derivatives And Their Use As Neurokinin Antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-13 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-20070213346-A1 Substituted 4-Alkyl-And 4-Alkanoyl-Piperidine Derivatives And Their Use As Neurokinin Antagonists NPSR1, VIP, OPRK1 JAK2 3152/4885JAK1 2347/4885KDM4E 1960/4885

“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.