SCHEMBL9961815

SCHEMBL9961815

Cc1nn(C)c(C)c1CN1CCN(c2nccnc2-c2ccc(CO)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM1A O60341 1/20 0.36
NMT1 P30419 3/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
SMO Q99835 3/20 0.34
SLC34A1 Q06495 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAP2K4 P45985 1/20 0.33
METAP1 P53582 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RET P07949 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32

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 SCHEMBL3320745 0.99 GNRHR (0.41) GNRHRMEN1KMT2AKDM1ANMT1
SCHEMBL13473496 0.89 GNRHR (0.43) GNRHRNMT1ALDH1A1TSHRSMO
SCHEMBL9961821 0.88 GNRHR (0.40) GNRHRNMT1ALDH1A1TSHRSMO
SCHEMBL9961633 0.87 SMO (0.46) GNRHRMEN1KMT2AALDH1A1SMO
SCHEMBL9961627 0.87 GNRHR (0.43) GNRHRMEN1KMT2AALDH1A1TSHR
SCHEMBL9961817 0.87 GNRHR (0.40) GNRHRNMT1ALDH1A1TSHRSMO
Hydrochloric Acid SCHEMBL3321145 0.87 GNRHR (0.40) GNRHRNMT1ALDH1A1TSHRSMO
SCHEMBL9961752 0.86 GNRHR (0.41) GNRHRKDM1AL3MBTL1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL3322425 0.86 SMO (0.45) GNRHRMEN1KMT2AALDH1A1SMO
Hydrochloric Acid SCHEMBL3323683 0.86 GNRHR (0.39) GNRHRNMT1ALDH1A1TSHRSMO

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 6 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
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 GNRHR 447/4885MEN1 927/4885KMT2A 2273/4885

“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.