SCHEMBL172308

SCHEMBL172308

CCn1cc(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
LMNA P02545 1/20 0.41
PDE10A Q9Y233 10/20 0.41
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
RET P07949 1/20 0.38
POLB P06746 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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 SCHEMBL125190 0.99 KMT2A (0.41) KMT2ALMNAPDE10AMAPTMEN1
SCHEMBL171924 0.89 HTR1A (0.43) KMT2ALMNAPDE10AMAPTMEN1
SCHEMBL12742604 0.89 PDE10A (0.39) PDE10ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL1449386 0.88 HTR1A (0.43) KMT2ALMNAPDE10AMAPTMEN1
Hydrochloric Acid SCHEMBL1449453 0.88 PDE10A (0.38) PDE10ADRD2DRD4DRD3
SCHEMBL12742597 0.87 PDE10A (0.43) PDE10ARETPOLBDRD2DRD4
Hydrochloric Acid SCHEMBL121579 0.86 PDE10A (0.42) PDE10ARETPOLBDRD2DRD4
SCHEMBL172390 0.80 KMT2A (0.36) KMT2ALMNARETDRD2DRD4
Hydrochloric Acid SCHEMBL121518 0.79 KMT2A (0.36) KMT2ALMNARETDRD2DRD4
SCHEMBL9961810 0.78 RET (0.42) KMT2ALMNAMAPTMEN1RET

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 KMT2A 2688/4885LMNA 2287/4885PDE10A 703/4885

“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.