SCHEMBL2455460

SCHEMBL2455460

CC(C)Cn1c(=O)n(C)c(=O)c2c(Cl)n(Cc3ccc(C4CCCN4)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 10/20 0.43
PDE1B Q01064 10/20 0.43
PDE1C Q14123 10/20 0.43
PDE2A O00408 8/20 0.43
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
SLC16A1 P53985 2/20 0.37
TP53 P04637 2/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL2454928 0.82 PDE1A (0.55) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL2453873 0.78 PDE1A (0.48) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL2451319 0.75 PDE1A (0.42) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL7505214 0.74 PDE1A (0.48) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL2458000 0.73 PDE1A (0.52) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL1652923 0.72 PDE1B (0.74) PDE1APDE1BPDE1CPDE2APDE4A
SCHEMBL713987 0.70 PDE1B (0.73) PDE1APDE1BPDE1CPDE2APDE4A
SCHEMBL2459282 0.68 PDE1B (0.71) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL9608334 0.65 PDE1B (0.52) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL17849334 0.65 PDE1A (0.43) PDE1APDE1BPDE1CPDE2ASLC16A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353556-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-12-10 US disclosed
US-8927556-B2 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-01-06 US disclosed
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 US disclosed
EP-2367428-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2011-09-28 EP disclosed
WO-2010065147-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 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 (2 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-20150353556-A1 ORGANIC COMPOUNDS CYP2C9, TPMT, CYP2C19 PDE1A 4874/4885PDE1B 4863/4885PDE1C 4862/4885
US-20120136013-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 PDE1A 4874/4885PDE1B 4855/4885PDE1C 4854/4885

“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.