SCHEMBL5506162

SCHEMBL5506162

COc1ccc2ccc(C=O)c(C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
TRIM24 O15164 1/20 0.54
TYR P14679 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 1/20 0.51
ERN1 O75460 1/20 0.50
KDM4E B2RXH2 4/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.45
TYMS P04818 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NQO2 P16083 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP2A6 P11509 2/20 0.41

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
SCHEMBL9551201 0.88 ALDH1A1 (0.54) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL14877078 0.84 ALDH1A1 (0.58) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL6413743 0.81 TRIM24 (0.62) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL1882848 0.79 MTNR1A (0.59) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL10471643 0.77 MTNR1A (0.47) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL28910000 0.77 POLB (0.61) ALDH1A1TRIM24TYRTRIM33KDM4E
SCHEMBL9795842 0.76 CYP1A2 (0.48) ALDH1A1CYP1A2KDM4EMAPTHSD17B10
SCHEMBL135243 0.76 ALDH1A1 (0.66) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL10469980 0.75 ERN1 (0.52) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL12672585 0.75 ALDH1A1 (0.70) ALDH1A1TRIM24TYRTRIM33CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828122-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-09-05 EP disclosed
WO-2006064351-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-22 WO disclosed
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 US disclosed
WO-2004111003-A1 AMIDE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A ALDH1A1 1300/4885TRIM24 4795/4885TYR 456/4885

“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.