SCHEMBL5258352

SCHEMBL5258352

O=C(N[C@@H]1CCN(Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)C1)c1cc(F)cc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.64
DRD4 P21917 11/20 0.64
MCHR1 Q99705 4/20 0.60
CCR3 P51677 5/20 0.57
HTR2A P28223 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
SLC6A12 P48065 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL5258356 1.00 DRD2 (0.64) DRD2DRD4MCHR1CCR3HTR2A
SCHEMBL5263219 0.88 L3MBTL1 (0.64) DRD2DRD4CCR3HTR2AHDAC3
SCHEMBL5263211 0.88 L3MBTL1 (0.64) DRD2DRD4CCR3HTR2AHDAC3
SCHEMBL5258054 0.86 CCR3 (0.62) DRD2DRD4MCHR1CCR3HTR2A
SCHEMBL5258050 0.86 CCR3 (0.62) DRD2DRD4MCHR1CCR3HTR2A
SCHEMBL5258609 0.86 DRD2 (0.64) DRD2DRD4HTR2A
SCHEMBL5258616 0.86 DRD2 (0.64) DRD2DRD4HTR2A
SCHEMBL5255698 0.85 CCR2 (0.65) DRD2DRD4HTR2A
SCHEMBL5255707 0.85 CCR2 (0.65) DRD2DRD4HTR2A
SCHEMBL5257924 0.84 DRD2 (0.66) DRD2DRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP claimed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US claimed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US claimed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO claimed
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US disclosed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 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-20050222155-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 DRD2 4437/4885DRD4 4245/4885MCHR1 4809/4885

“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.