SCHEMBL9961863

SCHEMBL9961863

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
HTR1A P08908 12/20 0.37
HTR7 P34969 12/20 0.37
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KIT P10721 1/20 0.36
ALDH1A1 P00352 2/20 0.36
DRD2 P14416 8/20 0.36
HTR6 P50406 8/20 0.36
RET P07949 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MDM2 Q00987 1/20 0.35

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 SCHEMBL3322698 0.99 HPGD (0.37) HPGDHTR1AHTR7ALPIALPG
SCHEMBL9961860 0.91 HTR1A (0.38) HTR1AHTR7ALPIALPGKIT
Hydrochloric Acid SCHEMBL3322560 0.90 HTR1A (0.38) HTR1AHTR7ALPIALPGKIT
SCHEMBL9961866 0.89 HTR1A (0.41) HPGDHTR1AHTR7ALPIALPG
SCHEMBL3321430 0.89 HTR2A (0.41) HTR1AHTR7ALPIALPGKIT
Hydrochloric Acid SCHEMBL3322553 0.88 HTR1A (0.40) HPGDHTR1AHTR7ALPIALPG
SCHEMBL3319388 0.88 HTR1A (0.40) HPGDHTR1AHTR7ALPIALPG
Hydrochloric Acid SCHEMBL3319340 0.88 HTR2A (0.40) HTR1AHTR7ALPIALPGKIT
SCHEMBL9961862 0.87 HTR1A (0.43) HPGDHTR1AHTR7ALDH1A1DRD2
SCHEMBL9961857 0.87 MEN1 (0.37) HTR1AHTR7ALPIALPGMEN1

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 4 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

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 HPGD 1218/4885HTR1A 4/4885HTR7 1/4885

“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.