SCHEMBL172343

SCHEMBL172343

Cc1c(CN2CCN(c3cccnc3N3CCC(CO)CC3)CC2)cnn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.58
DRD4 P21917 2/20 0.58
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58
HTR1A P08908 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR2C P28335 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SLC2A1 P11166 4/20 0.41
SLC2A2 P11168 4/20 0.41
SLC2A3 P11169 4/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 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 SCHEMBL122278 0.99 SMO (0.57) SMODRD4DRD2DRD3HTR1A
SCHEMBL172360 0.92 SMO (0.64) SMODRD4DRD2DRD3MAPT
Hydrochloric Acid SCHEMBL123092 0.91 SMO (0.62) SMODRD4DRD2DRD3MAPT
SCHEMBL172175 0.87 CNR1 (0.42) SMODRD4DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL124926 0.86 CNR1 (0.42) SMODRD4DRD2DRD3HTR1A
SCHEMBL172215 0.85 GAA (0.41) SMODRD4DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL123508 0.84 GAA (0.40) SMODRD4DRD2DRD3HTR1A
SCHEMBL12742620 0.82 SMO (0.47) SMODRD4DRD2DRD3KDM4E
SCHEMBL172296 0.82 SMO (0.54) SMODRD4DRD2DRD3MAPT
SCHEMBL172192 0.82 DRD2 (0.58) DRD4DRD2DRD3HTR1AHTR3E

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.