SCHEMBL3319476

SCHEMBL3319476

CCOc1ccc(-c2nccnc2N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
NPSR1 Q6W5P4 5/20 0.46
HTT P42858 3/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.46
ADRB2 P07550 1/20 0.46
PSMD14 O00487 1/20 0.46
MMP2 P08253 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 4/20 0.45
HSD17B10 Q99714 3/20 0.45
GRM5 P41594 1/20 0.45
MAPK1 P28482 3/20 0.44
TSHR P16473 1/20 0.44
USP2 O75604 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44

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
SCHEMBL3671208 0.85 GPR119 (0.53) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL3322515 0.84 PDGFRB (0.42) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL3323770 0.81 TRPV1 (0.46) MAPTMAPK1KDM4EHRH2HRH1
SCHEMBL3320915 0.81 SMO (0.51) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL3322612 0.80 SMO (0.51) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL5238376 0.80 MAPT (0.54) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL3319285 0.80 SLC6A7 (0.51) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL3322547 0.79 CACNA2D1 (0.51) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL3326522 0.79 PTGS1 (0.45) KMT2AMEN1LMNA
Succinic Acid SCHEMBL3320432 0.74 CACNA2D1 (0.38) KMT2AMEN1ALDH1A1MAPTNPSR1

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
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 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-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 KMT2A 2273/4885MEN1 927/4885ALDH1A1 1205/4885

“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.