SCHEMBL170432

SCHEMBL170432

Cc1nn(-c2ccccc2)c(C)c1CN1CCN(c2nccnc2N2CCC(CO)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.54
RECQL P46063 1/20 0.44
PDE10A Q9Y233 10/20 0.43
P2RX7 Q99572 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.40
PDE2A O00408 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4D Q08499 1/20 0.39

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 SCHEMBL123936 0.99 SMO (0.53) SMORECQLPDE10AP2RX7NPC1
SCHEMBL172294 0.91 SMO (0.58) SMOPDE10ANPC1RAB9A
Hydrochloric Acid SCHEMBL124141 0.90 SMO (0.57) SMOPDE10ANPC1RAB9A
SCHEMBL172033 0.88 PDE10A (0.46) SMOPDE10AKMT2APDE2APDE1B
Hydrochloric Acid SCHEMBL125078 0.87 PDE10A (0.46) SMOPDE10AKMT2APDE2APDE1B
SCHEMBL171974 0.85 GAA (0.43) PDE10AKMT2A
Hydrochloric Acid SCHEMBL124026 0.84 GAA (0.43) PDE10AKMT2A
SCHEMBL12742592 0.83 PDE10A (0.41) PDE10APDE2APDE1BPDE4D
Hydrochloric Acid SCHEMBL124908 0.82 PDE10A (0.41) PDE10APDE2APDE1BPDE4D
SCHEMBL3322956 0.82 SMO (0.59) SMORECQLP2RX7NPC1RAB9A

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 SMO 848/4885RECQL 2028/4885PDE10A 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.