SCHEMBL172033

SCHEMBL172033

Cc1nn(-c2ccccn2)c(C)c1CN1CCN(c2nccnc2N2CCC(CO)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.46
SMO Q99835 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CHIA Q9BZP6 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE2A O00408 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE4D Q08499 2/20 0.38

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 SCHEMBL125078 0.99 PDE10A (0.46) PDE10ASMOMAPTKMT2ACHIA
SCHEMBL12742572 0.93 SMO (0.45) PDE10ASMOMAPTKMT2ACHIA
Hydrochloric Acid SCHEMBL124195 0.92 SMO (0.44) PDE10ASMOMAPTKMT2ACHIA
SCHEMBL172181 0.89 SMO (0.43) PDE10ASMOMAPTKMT2ACHIA
SCHEMBL170432 0.88 SMO (0.54) PDE10ASMOKMT2APDE2APDE1B
Hydrochloric Acid SCHEMBL125421 0.88 SMO (0.42) PDE10ASMOMAPTKMT2ACHIA
Hydrochloric Acid SCHEMBL123936 0.87 SMO (0.53) PDE10ASMOKMT2A
SCHEMBL12742620 0.83 SMO (0.47) PDE10ASMOALDH1A1HIF1AKDM4E
Hydrochloric Acid SCHEMBL124639 0.82 SMO (0.47) PDE10ASMOALDH1A1HIF1AKDM4E
SCHEMBL172294 0.82 SMO (0.58) PDE10ASMOMAPTALDH1A1KDM4E

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 PDE10A 703/4885SMO 848/4885MAPT 2788/4885

“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.