SCHEMBL3319306

SCHEMBL3319306

Cc1cccc(-c2nccnc2N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.44
DPP4 P27487 3/20 0.44
GRM5 P41594 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.42
FAAH O00519 1/20 0.42
PDE10A Q9Y233 2/20 0.41
SMO Q99835 1/20 0.41
KMO O15229 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
ATM Q13315 1/20 0.41
SLC6A7 Q99884 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL3320915 0.85 SMO (0.51) ALDH1A1MEN1KMT2AMAPK1SMO
SCHEMBL3667078 0.83 CKS1B (0.52) MAPTNPSR1ALDH1A1DPP4MEN1
SCHEMBL3323631 0.79 ADRB1 (0.53)
SCHEMBL9988403 0.76 PDE10A (0.65) PDE10A
SCHEMBL3322612 0.76 SMO (0.51) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3320758 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMOSLC6A7
SCHEMBL3326522 0.74 PTGS1 (0.45) MEN1KMT2ASMOPIK3CDPIK3CA
SCHEMBL20339483 0.74 TRPV1 (0.61) ALDH1A1KMT2A
SCHEMBL3319476 0.73 KMT2A (0.47) MAPTNPSR1ALDH1A1HPGDGRM5
SCHEMBL9961756 0.73 ALDH1A1 (0.46) MAPTALDH1A1DPP4MEN1KMT2A

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 MAPT 2476/4885NPSR1 59/4885ALDH1A1 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.