SCHEMBL172294

SCHEMBL172294

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.58
PDE10A Q9Y233 12/20 0.43
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 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 SCHEMBL124141 0.99 SMO (0.57) SMOPDE10ANPSR1LMNAALDH1A1
SCHEMBL170432 0.91 SMO (0.54) SMOPDE10ANPC1RAB9A
Hydrochloric Acid SCHEMBL123936 0.90 SMO (0.53) SMOPDE10ANPC1RAB9A
SCHEMBL171974 0.82 GAA (0.43) PDE10ALMNAALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL124026 0.82 GAA (0.43) PDE10ALMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL172033 0.82 PDE10A (0.46) SMOPDE10AALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL125078 0.81 PDE10A (0.46) SMOPDE10AALDH1A1MAPTKDM4E
SCHEMBL12742602 0.79 DRD2 (0.64) PDE10ANPSR1LMNAALDH1A1SMN1; SMN2
SCHEMBL172360 0.79 SMO (0.64) SMOPDE10ALMNAALDH1A1SMN1; SMN2
SCHEMBL9961647 0.78 SMO (0.72) SMONPSR1LMNAALDH1A1KDM4E

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 848/4885PDE10A 703/4885NPSR1 37/4885

“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.