SCHEMBL9961841

SCHEMBL9961841

Cc1c(CN2CCN(c3nccnc3-c3ccc(CCNS(C)(=O)=O)cc3)CC2)cnn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RET P07949 1/20 0.36
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SMO Q99835 1/20 0.34
LSS P48449 1/20 0.34
PIK3CA P42336 4/20 0.34
MTOR P42345 1/20 0.34
POLB P06746 1/20 0.33
PIK3CD O00329 3/20 0.33
PIK3CG P48736 3/20 0.33
PIK3CB P42338 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33

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 SCHEMBL3321864 0.99 CNR1 (0.36) CNR1CNR2ALDH1A1RETALPI
SCHEMBL3321830 0.92 CNR1 (0.37) CNR1CNR2ALDH1A1RETALPI
Hydrochloric Acid SCHEMBL3324978 0.91 CNR1 (0.37) CNR1CNR2ALDH1A1RETALPI
SCHEMBL9961893 0.87 CNR1 (0.39) CNR1CNR2ALDH1A1RETALPI
Hydrochloric Acid SCHEMBL3322554 0.86 CNR1 (0.38) CNR1CNR2ALDH1A1RETALPI
SCHEMBL13473525 0.85 CNR1 (0.40) CNR1CNR2ALDH1A1RETALPI
SCHEMBL9961851 0.85 ALDH1A1 (0.43) CNR1CNR2ALDH1A1RETALPI
SCHEMBL9961890 0.84 CNR1 (0.37) CNR1CNR2ALDH1A1RETALPI
Hydrochloric Acid SCHEMBL3324776 0.84 ALDH1A1 (0.43) CNR1CNR2ALDH1A1RETALPI
Hydrochloric Acid SCHEMBL3326217 0.84 CNR1 (0.37) CNR1CNR2ALDH1A1RETALPI

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-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 CNR1 20/4885CNR2 17/4885ALDH1A1 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.