SCHEMBL4030753

SCHEMBL4030753

CN1CCN(CCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.46
POLB P06746 2/20 0.42
DRD3 P35462 4/20 0.42
FAAH O00519 2/20 0.42
DRD2 P14416 2/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TSHR P16473 1/20 0.41
CYP2D6 P10635 2/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
CYP1A2 P05177 1/20 0.41
AVPR1B P47901 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 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 0.94 PSEN1 (0.47) HTR7POLBDRD3FAAHDRD2
SCHEMBL4036708 0.92 PSEN1 (0.45) HTR7POLBDRD3FAAHDRD2
SCHEMBL4036392 0.89 POLB (0.42) HTR7POLBPSEN1PSEN2APH1B
SCHEMBL4842444 0.88 MAPK1 (0.40) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL4032860 0.88 MAPK1 (0.40) HTR7PSEN1PSEN2APH1BNCSTN
SCHEMBL4036029 0.87 IL1B (0.42) POLBTSHRCYP2D6CYP1A2CYP2C9
SCHEMBL4203772 0.87 MAPK1 (0.42) CYP2D6CYP1A2SMN1; SMN2MAPK1CYP2C9
SCHEMBL4842900 0.87 FFAR4 (0.43) CYP2D6CYP1A2MAPK1MMP1MMP2
SCHEMBL4841137 0.87 MAPK1 (0.39) DRD3FAAHPSEN1PSEN2APH1B
SCHEMBL4030884 0.86 CYP3A4 (0.47) POLBPSEN1PSEN2APH1BNCSTN

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 HTR7 81/4885POLB 4775/4885DRD3 169/4885

“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.