SCHEMBL676897

SCHEMBL676897

CSc1c2c(=O)n(C)c(=O)n(CC(C)(C)C)c2nn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
PARG Q86W56 1/20 0.37
NPBWR1 P48145 1/20 0.37
PDE1B Q01064 3/20 0.36
PDE2A O00408 1/20 0.36
PDE4D Q08499 1/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
P2RX3 P56373 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
TRPA1 O75762 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
SCHEMBL678944 0.94 PDE1B (0.36) MAOBPARGNPBWR1PDE1BPDE2A
SCHEMBL674937 0.88 PDE1B (0.37) MAOBPARGNPBWR1PDE1BPDE2A
SCHEMBL675577 0.86 GRM2 (0.42) MAOBNPBWR1PPARAPKMLMNA
SCHEMBL676380 0.85 PDE1B (0.49) PARGPDE1BPDE2APDE4DPKM
SCHEMBL680616 0.83 PDE1B (0.44) PARGPDE1BPDE2APDE4DPDE1A
SCHEMBL680009 0.82 PDE1B (0.37) MAOBPDE1BPDE2APDE4DABCC8
SCHEMBL676509 0.81 DPP4 (0.39) PDE1BPDE2APDE4DPPARDPPARA
SCHEMBL676450 0.80 PDE1B (0.52) PDE1BPDE2APDE4DLMNATSHR
SCHEMBL15943438 0.79 PDE1B (0.38) PDE1BPDE2APDE4DTSHRPDE1A
SCHEMBL674429 0.74 ALDH1A1 (0.43) NPBWR1PKMLMNAGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289518-A1 METHOD FOR TREATING BRAIN OR NERVE INJURY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-09-17 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-9801882-B2 Phosphodiesterase-1 inhibitors and their use in treatment of cardiovascular diseases INTRA-CELLULAR THERAPIES, INC. (US) 2017-10-31 US disclosed
US-9487527-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase I INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-08 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20150374699-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2015-12-31 US disclosed
US-20150119370-A1 Organic Compounds LI PENG (US) 2015-04-30 US disclosed
US-8859564-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase 1 INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-14 US disclosed
US-8859564-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase 1 INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-14 US disclosed
US-8859564-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase 1 INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-14 US disclosed
EP-2367430-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2014-08-13 EP disclosed
EP-2367430-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2014-08-13 EP disclosed
US-20110281832-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-11-17 US disclosed
US-20110281832-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-11-17 US 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 (6 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-20200289518-A1 METHOD FOR TREATING BRAIN OR NERVE INJURY GAP43, NGF, CHAT MAOB 468/4885PARG 3509/4885NPBWR1 523/4885
US-20150374699-A1 NOVEL USES PDE2A, PDE5A, PDE3A MAOB 472/4885PARG 667/4885NPBWR1 1802/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A MAOB 642/4885PARG 393/4885NPBWR1 686/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A MAOB 433/4885PARG 184/4885NPBWR1 859/4885
US-20110281832-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 MAOB 297/4885PARG 1290/4885NPBWR1 4859/4885
US-20150119370-A1 Organic Compounds CYP2C19, CYP2C9, CYP3A43 MAOB 55/4885PARG 1989/4885NPBWR1 4657/4885

“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.