SCHEMBL172376

SCHEMBL172376

OCCn1cc(CN2CCN(c3nccnc3N3CCCCC3)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 5/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
HTR2C P28335 2/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR1A P08908 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
HSD11B1 P28845 1/20 0.34
GAA P10253 1/20 0.34

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 SCHEMBL124634 0.99 ROCK2 (0.43) ROCK2ROCK1CYP3A4MEN1CYP2C9
SCHEMBL123599 0.88 DRD4 (0.40) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL12742604 0.86 PDE10A (0.39) DRD4DRD2DRD3
SCHEMBL172390 0.86 KMT2A (0.36) ROCK2ROCK1KMT2ADRD4DRD2
Hydrochloric Acid SCHEMBL1449453 0.85 PDE10A (0.38) DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL121518 0.85 KMT2A (0.36) ROCK2ROCK1KMT2ADRD4DRD2
SCHEMBL3320933 0.83 ALDH1A1 (0.46) MEN1KMT2ADRD4DRD2DRD3
Hydrochloric Acid SCHEMBL3320649 0.82 ALDH1A1 (0.47) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL9961669 0.81 DRD2 (0.43) MEN1KMT2ADRD4DRD2DRD3
SCHEMBL9961780 0.81 MEN1 (0.47) ROCK2ROCK1MEN1KMT2ADRD4

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 ROCK2 2145/4885ROCK1 1923/4885CYP3A4 924/4885

“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.