SCHEMBL172330

SCHEMBL172330

OCC1CCN(c2nccnc2N2CCN(Cc3cnn(-c4cc(F)ccc4F)c3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.45
DRD2 P14416 9/20 0.45
DRD3 P35462 9/20 0.45
PDE10A Q9Y233 4/20 0.42
SCD O00767 2/20 0.39
HTR2C P28335 2/20 0.38
HTR1A P08908 1/20 0.37

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 SCHEMBL123255 0.99 DRD4 (0.44) DRD4DRD2DRD3PDE10ASCD
SCHEMBL12742560 0.89 DRD4 (0.56) DRD4DRD2DRD3PDE10AHTR2C
Hydrochloric Acid SCHEMBL125370 0.88 DRD4 (0.55) DRD4DRD2DRD3PDE10AHTR2C
SCHEMBL172328 0.85 DRD4 (0.50) DRD4DRD2DRD3PDE10AHTR2C
SCHEMBL128142 0.84 DRD4 (0.49) DRD4DRD2DRD3HTR2CHTR1A
Hydrochloric Acid SCHEMBL123987 0.84 DRD4 (0.49) DRD4DRD2DRD3PDE10AHTR2C
SCHEMBL12742597 0.78 PDE10A (0.43) DRD4DRD2DRD3PDE10A
Hydrochloric Acid SCHEMBL121579 0.77 PDE10A (0.42) DRD4DRD2DRD3PDE10A
SCHEMBL172308 0.75 KMT2A (0.42) DRD4DRD2DRD3PDE10A
SCHEMBL12742604 0.75 PDE10A (0.39) DRD4DRD2DRD3PDE10A

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 DRD4 349/4885DRD2 226/4885DRD3 292/4885

“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.