SCHEMBL3071052

SCHEMBL3071052

O=C(CCCCl)N[C@H]1CCN(Cc2ccccc2)C[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.53
CCR2 P41597 3/20 0.50
SIGMAR1 Q99720 5/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
POLB P06746 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
FUCA1 P04066 2/20 0.45
SLC18A3 Q16572 1/20 0.45

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
SCHEMBL3071054 1.00 UBE2M (0.53) UBE2MDCUN1D1CCR2SIGMAR1HDAC3
SCHEMBL3072521 1.00 UBE2M (0.53) UBE2MDCUN1D1CCR2SIGMAR1HDAC3
SCHEMBL3072524 1.00 UBE2M (0.53) UBE2MDCUN1D1CCR2SIGMAR1HDAC3
SCHEMBL3121018 0.84 UBE2M (0.60) UBE2MDCUN1D1SIGMAR1POLBDRD2
SCHEMBL2221237 0.84 UBE2M (0.60) UBE2MDCUN1D1SIGMAR1POLBDRD2
SCHEMBL2221234 0.84 UBE2M (0.60) UBE2MDCUN1D1SIGMAR1POLBDRD2
SCHEMBL3121007 0.84 UBE2M (0.60) UBE2MDCUN1D1SIGMAR1POLBDRD2
SCHEMBL3118452 0.84 UBE2M (0.60) UBE2MDCUN1D1SIGMAR1POLBDRD2
SCHEMBL9721654 0.81 DRD4 (0.61) UBE2MDCUN1D1SIGMAR1DRD2DRD4
SCHEMBL9721659 0.81 DRD4 (0.61) UBE2MDCUN1D1SIGMAR1DRD2DRD4

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
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 UBE2M 3795/4885DCUN1D1 1892/4885CCR2 1469/4885

“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.