SCHEMBL172215

SCHEMBL172215

CCn1ncc(CN2CCN(c3cccnc3N3CCC(CO)CC3)CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PDE10A Q9Y233 6/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 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 SCHEMBL123508 0.99 GAA (0.40) GAAHTTKDM4EALDH1A1HTR3E
SCHEMBL125026 0.90 HTT (0.41) GAAHTTKDM4EALDH1A1HTR3E
Hydrochloric Acid SCHEMBL123498 0.90 HTT (0.41) GAAHTTKDM4EALDH1A1HTR3E
Hydrochloric Acid SCHEMBL122051 0.90 HTT (0.41) GAAHTTKDM4EALDH1A1HTR3E
SCHEMBL12742588 0.89 GAA (0.43) GAAHTTKDM4EALDH1A1PDE10A
SCHEMBL172175 0.89 CNR1 (0.42) HTTKDM4EALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL125603 0.88 GAA (0.42) GAAHTTKDM4EALDH1A1PDE10A
Hydrochloric Acid SCHEMBL124926 0.88 CNR1 (0.42) HTTKDM4EALDH1A1HTR3EHTR3B
SCHEMBL172343 0.85 SMO (0.58) HTTKDM4EALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL122278 0.84 SMO (0.57) HTTKDM4EALDH1A1HTR3EHTR3B

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 GAA 4766/4885HTT 708/4885KDM4E 2286/4885

“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.