SCHEMBL7980393

SCHEMBL7980393

C[C@@H]1CN(c2c[nH]c3cccnc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
CYP2C19 P33261 1/20 0.46
HDAC1 Q13547 1/20 0.45
GPR119 Q8TDV5 4/20 0.44
GRM1 Q13255 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38
SETD7 Q8WTS6 1/20 0.37
CXCR3 P49682 1/20 0.37
SLC6A7 Q99884 2/20 0.37

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
SCHEMBL3176149 0.85 CYP2C19 (0.52) CYP2C19GRM1CYP3A4CYP2D6CXCR3
SCHEMBL3184309 0.85 CYP2C19 (0.52) CYP2C19GRM1CYP3A4CYP2D6CXCR3
SCHEMBL3621236 0.84 POLB (0.52) MAP4K4GPR119POLB
SCHEMBL23602022 0.82 MAP4K4 (0.53) MAP4K4HDAC1GPR119GRM1POLB
SCHEMBL15006962 0.78 GPR119 (0.59) MAP4K4HDAC1GPR119GRM1SUV39H2
SCHEMBL16236440 0.78 GPR119 (0.59) MAP4K4HDAC1GPR119GRM1SUV39H2
SCHEMBL20139355 0.78 GPR119 (0.59) MAP4K4HDAC1GPR119GRM1SUV39H2
SCHEMBL3220338 0.77 PIM1 (0.50) MAP4K4
SCHEMBL27788103 0.77 FLT3 (0.37) CYP2C19GPR119POLB
SCHEMBL12100833 0.76 GRM1 (0.64) MAP4K4HDAC1GPR119GRM1KDM4E

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
WO-2010008832-A1 PYRROLO-PYRIDINE-3-YL-PIPERAZINE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 WO disclosed
US-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 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-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR3A MAP4K4 3058/4885CYP2C19 319/4885HDAC1 2114/4885

“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.