SCHEMBL170351

SCHEMBL170351

CCn1nc(C)c(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
PDE10A Q9Y233 10/20 0.40
ALPL P05186 2/20 0.40
ALPI P09923 2/20 0.40
POLB P06746 1/20 0.40
ALPG P10696 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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 SCHEMBL124911 0.99 NPSR1 (0.42) NPSR1PDE10AALPLALPIPOLB
SCHEMBL171974 0.87 GAA (0.43) PDE10APOLBKMT2ALMNASMN1; SMN2
SCHEMBL12742592 0.87 PDE10A (0.41) PDE10A
Hydrochloric Acid SCHEMBL124026 0.86 GAA (0.43) PDE10APOLBKMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL124908 0.86 PDE10A (0.41) PDE10A
SCHEMBL170432 0.81 SMO (0.54) PDE10AKMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL123936 0.81 SMO (0.53) PDE10AKMT2ANPC1RAB9A
SCHEMBL12742588 0.80 GAA (0.43) PDE10APOLB
SCHEMBL172033 0.80 PDE10A (0.46) PDE10AKMT2A
Hydrochloric Acid SCHEMBL125603 0.80 GAA (0.42) PDE10APOLB

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 NPSR1 37/4885PDE10A 703/4885ALPL 4876/4885

“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.