SCHEMBL9961663

SCHEMBL9961663

Cc1c(CN2CCN(c3nccnc3-c3ccccc3F)CC2)cnn1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
SMO Q99835 4/20 0.43
DRD4 P21917 3/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
POLB P06746 1/20 0.43
PDE10A Q9Y233 1/20 0.40
HTR7 P34969 1/20 0.40
TRPC5 Q9UL62 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
RET P07949 1/20 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
Hydrochloric Acid SCHEMBL3323641 0.99 MEN1 (0.48) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL9961762 0.92 CNR1 (0.45) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL9961739 0.88 SMO (0.50) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL9961640 0.88 MEN1 (0.46) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL9961751 0.88 ALDH1A1 (0.44) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL9961777 0.88 CNR1 (0.59) MEN1KMT2ACNR1CNR2ALDH1A1
Hydrochloric Acid SCHEMBL3321135 0.87 SMO (0.49) MEN1KMT2ACNR1CNR2ALDH1A1
Hydrochloric Acid SCHEMBL3324361 0.87 ALDH1A1 (0.43) MEN1KMT2ACNR1CNR2ALDH1A1
Hydrochloric Acid SCHEMBL3323578 0.87 MEN1 (0.45) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL9961733 0.87 HSD11B1 (0.47) MEN1KMT2ACNR1CNR2ALDH1A1

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
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-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US 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
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
WO-2008141020-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) 2008-11-20 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-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 MEN1 927/4885KMT2A 2273/4885CNR1 20/4885

“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.