SCHEMBL3833987

SCHEMBL3833987

CC1CCN(c2cc(S(=O)(=O)c3ccccc3)nc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.58
LMNA P02545 4/20 0.52
HTT P42858 4/20 0.52
USP2 O75604 3/20 0.52
MAPK1 P28482 2/20 0.52
PKM P14618 2/20 0.52
HSD17B10 Q99714 1/20 0.52
NCF1 P14598 2/20 0.48
CES2 O00748 1/20 0.47
POLB P06746 3/20 0.47
BRCA1 P38398 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PIK3CA P42336 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3830512 0.89 POLB (0.54) GRM5LMNAHTTUSP2MAPK1
SCHEMBL3831791 0.85 NCF1 (0.61) GRM5LMNAHTTUSP2MAPK1
SCHEMBL3833749 0.85 NCF1 (0.61) GRM5LMNAHTTUSP2MAPK1
SCHEMBL1776856 0.82 NCF1 (0.61) LMNAHTTUSP2MAPK1PKM
Hydrochloric Acid SCHEMBL1776289 0.81 NCF1 (0.60) LMNAHTTUSP2MAPK1PKM
SCHEMBL30764301 0.74 TP53 (0.55) HTTMAPK1CES2POLBCASP7
SCHEMBL3832692 0.73 GRM5 (1.00) GRM5LMNAHTTMAPK1CES2
SCHEMBL20460685 0.72 KDM4E (0.60) LMNAHTTUSP2MAPK1HSD17B10
SCHEMBL10866416 0.72 L3MBTL1 (0.59) LMNAHTTUSP2MAPK1NCF1
SCHEMBL3947546 0.71 GRM5 (0.48) GRM5USP2PKMCES2POLB

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
US-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2009-10-29 US claimed
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP claimed
US-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2009-10-29 US disclosed
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP 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-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS GRM5, GRIK5, GRM1 GRM5 1/4885LMNA 3617/4885HTT 1107/4885

“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.