SCHEMBL122881

SCHEMBL122881

Cc1nn(-c2ccccn2)c(C)c1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ P2RX7 Q99572 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FFAR4 Q5NUL3 3/20 0.40
▸ CCNA2 P20248 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ SPR P35270 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL18949733 0.78 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10P2RX7
SCHEMBL11250227 0.77 MEN1 (0.66) ALDH1A1ALOX15P2RX7MAPTNPC1
SCHEMBL7506607 0.76 SMN1; SMN2 (0.59) ALDH1A1HPGDALOX15HSD17B10P2RX7
SCHEMBL3462043 0.74 KDM4E (0.63) ALDH1A1HPGDALOX15HSD17B10P2RX7
SCHEMBL27780413 0.74 ALDH1A1 (0.51) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL17156247 0.74 KDM4E (0.49) ALDH1A1HPGDALOX15HSD17B10P2RX7
SCHEMBL3683672 0.73 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL16019533 0.73 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL19422723 0.73 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HSD17B10MAPT
SCHEMBL122538 0.72 HPGD (0.47) ALDH1A1HPGDALOX15HSD17B10MAPT

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 10 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
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 — — EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 — — US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 — — US disclosed
EP-2201002-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-06-30 — — 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
EP-2155717-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) 2010-02-24 — — EP disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 — — WO 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 (2 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C ALDH1A1 2150/4885HPGD 1351/4885ALOX15 1176/4885
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 ALDH1A1 1205/4885HPGD 1218/4885ALOX15 2009/4885

“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.

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