SCHEMBL5493012

SCHEMBL5493012

COc1cc2c(cc1OC)N(C)C(=O)CN=C2c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.65
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
TSPO P30536 1/20 0.54
GABRA1 P14867 8/20 0.49
GABRA5 P31644 8/20 0.49
GABRA3 P34903 8/20 0.49
GABRA2 P47869 8/20 0.49
GABRG2 P18507 7/20 0.49
GABRB3 P28472 7/20 0.49
GABRB2 P47870 5/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
CACNA1F O60840 1/20 0.49
ALB P02768 1/20 0.49
GABRB1 P18505 1/20 0.49
OPRK1 P41145 1/20 0.49
AKR1C3 P42330 1/20 0.49
GABRA4 P48169 1/20 0.49
AKR1C2 P52895 1/20 0.49

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
SCHEMBL5486258 0.89 PDE2A (0.81) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5486143 0.88 LMNA (0.71) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5486211 0.88 PDE2A (0.65) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5488783 0.88 PDE2A (0.68) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5360424 0.88 PDE2A (0.66) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5493025 0.87 PDE2A (0.64) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5490269 0.86 PDE2A (0.64) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5044322 0.85 LMNA (0.55) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5491555 0.85 PDE2A (0.62) PDE2ALMNAGAATSPOGABRA1
Dimethylamine SCHEMBL5493029 0.84 PDE2A (0.65) PDE2ALMNAGAATSPOGABRA1

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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US claimed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A PDE2A 7/4885LMNA 1410/4885GAA 266/4885

“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.