SCHEMBL3053487

SCHEMBL3053487

N#Cc1c(C(=O)N2CCC(N3CCOC3=O)CC2)nc2c(C(F)(F)F)cc(C3CC3)cn12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
VNN1 O95497 1/20 0.33
F10 P00742 1/20 0.32
KHK P50053 2/20 0.32
SLC9A1 P19634 2/20 0.31
KCNH2 Q12809 1/20 0.31
RET P07949 1/20 0.31
MCHR1 Q99705 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
FASN P49327 2/20 0.30
NPY5R Q15761 1/20 0.30
SCD5 Q86SK9 1/20 0.30

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
SCHEMBL3071149 0.88 F10 (0.37) RBP4VNN1F10MCHR1NPY5R
SCHEMBL3064598 0.87 VNN1 (0.35) RBP4VNN1F10MCHR1NPY5R
SCHEMBL3059055 0.85 F10 (0.36) RBP4VNN1F10MCHR1NPY5R
SCHEMBL3061540 0.85 F10 (0.36) RBP4VNN1F10MCHR1FASN
SCHEMBL3074119 0.84 RET (0.33) RBP4CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3063826 0.82 RBP4 (0.40) RBP4CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3071337 0.81 F10 (0.34) RBP4VNN1F10MCHR1FASN
SCHEMBL1583718 0.81 P2RX7 (0.43) RBP4
SCHEMBL1583199 0.81 P2RX7 (0.45) RBP4
SCHEMBL1583242 0.80 P2RX7 (0.39) RBP4CYP3A4CYP2C9CYP2C19CYP2D6

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 5 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
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 RBP4 2908/4885CYP3A4 1385/4885CYP2C9 601/4885

“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.