SCHEMBL3074119

SCHEMBL3074119

N#Cc1c(C(=O)N2CCC(N3CCOC3=O)CC2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.33
KDM1A O60341 1/20 0.33
ELANE P08246 3/20 0.33
RBP4 P02753 5/20 0.33
VNN1 O95497 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRK1 P41145 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
F10 P00742 1/20 0.31
NPY5R Q15761 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
KHK P50053 1/20 0.31

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
SCHEMBL3057907 0.89 F10 (0.36) RBP4VNN1F10NPY5RTYRO3
SCHEMBL3063954 0.89 VNN1 (0.35) RETELANEVNN1F10NPY5R
SCHEMBL3063951 0.89 VNN1 (0.34) VNN1F10NPY5RTYRO3MERTK
SCHEMBL3069135 0.87 OXTR (0.32) KDM1AELANERBP4CYP3A4CYP2D6
SCHEMBL3068892 0.87 F10 (0.33) RBP4VNN1F10NPY5RTYRO3
SCHEMBL3063831 0.87 ERN1 (0.35) VNN1F10NPY5RTYRO3MERTK
SCHEMBL3074607 0.87 KDM5A (0.34) VNN1F10NPY5RTYRO3MERTK
SCHEMBL3064153 0.86 VNN1 (0.34) ELANEVNN1F10NPY5RTYRO3
SCHEMBL3053487 0.84 RBP4 (0.35) RETRBP4VNN1CYP3A4CYP2D6
SCHEMBL3173414 0.84 RBP4 (0.36) KDM1ARBP4CYP3A4CYP2D6CYP2C9

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
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US claimed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
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
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 RET 4461/4885KDM1A 3577/4885ELANE 769/4885

“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.