SCHEMBL171924

SCHEMBL171924

CCn1cc(CN2CCN(c3cccnc3N3CCC(CO)CC3)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR2C P28335 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
DRD2 P14416 6/20 0.41
DRD4 P21917 6/20 0.41
DRD3 P35462 6/20 0.41
KMT2A Q03164 4/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.39
AKT1 P31749 1/20 0.39
PDE10A Q9Y233 2/20 0.38

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 SCHEMBL1449386 0.99 HTR1A (0.43) HTR1AHTR3EHTR3BHTR2CHTR3A
SCHEMBL172308 0.89 KMT2A (0.42) DRD2DRD4DRD3KMT2AMAPT
Hydrochloric Acid SCHEMBL125190 0.88 KMT2A (0.41) DRD2DRD4DRD3KMT2AMAPT
SCHEMBL12742570 0.82 LMNA (0.42) HTR1AHTR3EHTR3BHTR2CHTR3A
Hydrochloric Acid SCHEMBL124011 0.81 LMNA (0.41) HTR1AHTR3EHTR3BHTR2CHTR3A
SCHEMBL172215 0.80 GAA (0.41) HTR1AHTR3EHTR3BHTR2CHTR3A
Hydrochloric Acid SCHEMBL123508 0.79 GAA (0.40) HTR1AHTR3EHTR3BHTR2CHTR3A
SCHEMBL12742604 0.79 PDE10A (0.39) DRD2DRD4DRD3PDE10A
SCHEMBL9961723 0.78 DRD2 (0.47) HTR1AHTR3EHTR3BHTR2CHTR3A
Hydrochloric Acid SCHEMBL1449453 0.78 PDE10A (0.38) DRD2DRD4DRD3PDE10A

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 HTR1A 2/4885HTR3E 16/4885HTR3B 6/4885

“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.