SCHEMBL172360

SCHEMBL172360

Cc1c(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)cnn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.64
DRD4 P21917 2/20 0.64
DRD2 P14416 1/20 0.64
DRD3 P35462 1/20 0.64
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
TP53 P04637 2/20 0.43
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE10A Q9Y233 7/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA1A P35348 1/20 0.40
MAPK1 P28482 1/20 0.39
NTSR1 P30989 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
Hydrochloric Acid SCHEMBL123092 0.99 SMO (0.62) SMODRD4DRD2DRD3MAPT
SCHEMBL172343 0.92 SMO (0.58) SMODRD4DRD2DRD3MAPT
Hydrochloric Acid SCHEMBL122278 0.91 SMO (0.57) SMODRD4DRD2DRD3MAPT
SCHEMBL172296 0.90 SMO (0.54) SMODRD4DRD2DRD3MAPT
SCHEMBL172312 0.90 SMO (0.66) SMODRD4DRD2DRD3MAPT
Hydrochloric Acid SCHEMBL124637 0.89 SMO (0.53) SMODRD4DRD2DRD3MAPT
Hydrochloric Acid SCHEMBL123743 0.89 SMO (0.65) SMODRD4DRD2DRD3MAPT
SCHEMBL12742620 0.88 SMO (0.47) SMODRD4DRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL124639 0.87 SMO (0.47) SMODRD4DRD2DRD3ALDH1A1
SCHEMBL172295 0.85 SMO (0.72) SMODRD4DRD2DRD3MAPT

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-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-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
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C SMO 848/4885DRD4 349/4885DRD2 226/4885

“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.