SCHEMBL7046358

SCHEMBL7046358

COc1cc(Cl)cc(Cl)c1-c1c(C)nn2c(N(CCN)C3CCN(Cc4ccccc4)CC3)cc(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 2/20 0.42
CRHR1 P34998 13/20 0.42
SLC2A1 P11166 1/20 0.39

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
SCHEMBL7043850 0.91 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6457651 0.84 NPY1R (0.42) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL1593501 0.80 NPY1R (0.47) CRHR1
SCHEMBL7550723 0.77 NPY1R (0.61) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL1593564 0.74 CYP1A2 (0.48) CRHR1
SCHEMBL6520712 0.74 NPY1R (0.49) CRHR1
SCHEMBL1593938 0.73 NPY1R (0.46) CRHR1
SCHEMBL1593495 0.72 NPY1R (0.52) CRHR1
SCHEMBL1593915 0.71 NPY1R (0.47) MAPTCRHR1
SCHEMBL1594081 0.70 NPY1R (0.45) CRHR1

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
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NEUROGEN CORPORATION (US) 2003-04-10 US claimed
EP-1339819-A1 A FABRIC SOFTENING COMPOSITION COMPRISING A MALODOR CONTROLLING AGENT THE PROCTER & GAMBLE COMPANY (US) 2003-09-03 EP disclosed
WO-2003010265-A1 A FABRIC SOFTENING COMPOSITION COMPRISING A MALODOR CONTROLLING AGENT THE PROCTER & GAMBLE COMPANY (US) 2003-02-06 WO disclosed
EP-0912668-A2 DETERGENT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed
WO-1998053035-A1 CLEAR OR TRANSLUCENT FABRIC SOFTENER COMPOSITIONS USING MIXTURE OF SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1998-11-26 WO disclosed
WO-1997043365-A2 DETERGENT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-11-20 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-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NPY1R, NPY5R, NPY2R ALDH1A1 2283/4885HPGD 1660/4885KDM4E 1742/4885

“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.