SCHEMBL9961685

SCHEMBL9961685

Cc1c(CN2CCN(c3nccnc3-c3ccc(F)c(C(F)(F)F)c3)CC2)cnn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SMO Q99835 3/20 0.39
HSD11B1 P28845 1/20 0.39
RET P07949 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RPS6KB1 P23443 7/20 0.36
AKT1 P31749 3/20 0.36
PKM P14618 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
PPARG P37231 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MPL P40238 1/20 0.35
RPS6KA5 O75582 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
Succinic Acid SCHEMBL3320186 0.93 SIGMAR1 (0.39) SIGMAR1CNR1CNR2SMOHSD11B1
SCHEMBL9961724 0.84 POLB (0.43) CNR1CNR2SMORETKDM4E
SCHEMBL3321037 0.84 SMO (0.53) CNR1CNR2SMOKDM4EALDH1A1
SCHEMBL9961853 0.84 RET (0.40) CNR1CNR2SMORETKDM4E
Hydrochloric Acid SCHEMBL3322384 0.83 POLB (0.43) CNR1CNR2SMORETKDM4E
Hydrochloric Acid SCHEMBL3323170 0.83 RET (0.40) CNR1CNR2SMORETKDM4E
SCHEMBL9961733 0.83 HSD11B1 (0.47) SIGMAR1CNR1CNR2SMOHSD11B1
SCHEMBL9961736 0.82 ALDH1A1 (0.46) CNR1CNR2SMORETKDM4E
SCHEMBL9961691 0.82 CNR1 (0.42) CNR1CNR2SMOHSD11B1RET
SCHEMBL9961767 0.82 CNR1 (0.43) CNR1CNR2SMORETKDM4E

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
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

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 SIGMAR1 257/4885CNR1 20/4885CNR2 17/4885

“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.