SCHEMBL4036708

SCHEMBL4036708

O=C(NCCCCN1CCCC1)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
DRD3 P35462 3/20 0.44
FAAH O00519 3/20 0.44
DRD2 P14416 2/20 0.42
HTR3A P46098 2/20 0.42
HTR7 P34969 2/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
CACNA1B Q00975 2/20 0.40
KDM2B Q8NHM5 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 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
SCHEMBL4035938 0.98 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4036392 0.94 POLB (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4030753 0.92 HTR7 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4841693 0.88 FFAR4 (0.43) DRD3FAAHKDM2BMMP1MMP2
SCHEMBL4032860 0.88 MAPK1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4036029 0.87 IL1B (0.42) CACNA1BALDH1A1POLBTSHRMMP1
SCHEMBL4840706 0.87 FFAR4 (0.42) DRD3FAAHKDM2BMMP1MMP2
SCHEMBL4842900 0.87 FFAR4 (0.43) KDM2BALDH1A1MMP1MMP2MMP9
SCHEMBL4030884 0.86 CYP3A4 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4039819 0.86 MAPK1 (0.40) DRD3CACNA1BKDM2BALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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 (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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 PSEN1 100/4885PSEN2 309/4885APH1B 926/4885

“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.