SCHEMBL123223

SCHEMBL123223

Fc1ccccc1-n1cc(CN2CCN(c3nccnc3Cl)CC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.62
DRD2 P14416 9/20 0.62
DRD3 P35462 9/20 0.62
HTR2C P28335 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.47
HTR1A P08908 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL128142 0.87 DRD4 (0.49) DRD4DRD2DRD3HTR2CKDM4E
SCHEMBL3323015 0.84 DRD4 (0.70) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL12742560 0.84 DRD4 (0.56) DRD4DRD2DRD3HTR2CKDM4E
Hydrochloric Acid SCHEMBL125370 0.83 DRD4 (0.55) DRD4DRD2DRD3HTR2CKDM4E
SCHEMBL124746 0.81 DRD4 (0.55) DRD4DRD2DRD3HTR2CKDM4E
SCHEMBL126155 0.78 HTR2C (0.50) DRD4DRD2DRD3HTR2CKDM4E
SCHEMBL3321653 0.76 DRD4 (0.42) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL9961634 0.72 DRD4 (0.71) DRD4DRD2DRD3HTR2CALDH1A1
SCHEMBL172330 0.72 DRD4 (0.45) DRD4DRD2DRD3HTR2CHTR1A
SCHEMBL9961660 0.72 ALDH1A1 (0.48) DRD4DRD2DRD3KDM4EALDH1A1

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 9 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
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-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
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.