SCHEMBL9961879

SCHEMBL9961879

Cc1nccn1Cc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
LMNA P02545 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 5/20 0.38
RET P07949 1/20 0.37
JAK2 O60674 1/20 0.36
SMO Q99835 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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 SCHEMBL3320518 0.99 L3MBTL1 (0.40) L3MBTL1LMNACNR1CNR2ALDH1A1
Hydrochloric Acid SCHEMBL3319147 0.86 CNR1 (0.42) L3MBTL1LMNACNR1CNR2ALDH1A1
SCHEMBL9961847 0.85 ALDH1A1 (0.43) L3MBTL1CNR1CNR2ALDH1A1RET
SCHEMBL3322643 0.85 ALDH1A1 (0.45) L3MBTL1CNR1CNR2ALDH1A1RET
SCHEMBL3320540 0.85 CNR1 (0.41) L3MBTL1CNR1CNR2ALDH1A1RET
SCHEMBL3321152 0.85 AURKA (0.42) L3MBTL1CNR1CNR2ALDH1A1RET
SCHEMBL9961767 0.85 CNR1 (0.43) L3MBTL1LMNACNR1CNR2ALDH1A1
Hydrochloric Acid SCHEMBL3324285 0.84 ALDH1A1 (0.43) L3MBTL1CNR1CNR2ALDH1A1RET
Hydrochloric Acid SCHEMBL3320716 0.84 ALDH1A1 (0.44) L3MBTL1CNR1CNR2ALDH1A1RET
Hydrochloric Acid SCHEMBL3321197 0.84 CNR1 (0.40) L3MBTL1CNR1CNR2ALDH1A1RET

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
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-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 L3MBTL1 4103/4885LMNA 2387/4885CNR1 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.