SCHEMBL3830977

SCHEMBL3830977

Brc1cnc2ccccc2c1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.54
GRM5 P41594 3/20 0.51
KDM4E B2RXH2 6/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 4/20 0.47
HPGD P15428 4/20 0.47
GLA P06280 3/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.46
PIK3CA P42336 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NCF1 P14598 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ELANE P08246 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL29643035 0.76 MEN1 (0.56) PTK2GRM5KDM4EMAPTALDH1A1
SCHEMBL17065812 0.73 PRKDC (0.46) KDM4EMAPTALDH1A1GAAPOLB
SCHEMBL18412834 0.73 KDM4E (0.44) PTK2KDM4EMAPTALDH1A1GAA
SCHEMBL3736413 0.72 TP53 (0.53) PTK2KDM4EMAPTALDH1A1HPGD
SCHEMBL8239118 0.71 GRM5 (0.78) GRM5KDM4EMAPTALDH1A1HPGD
SCHEMBL8238178 0.71 GRM5 (0.72) GRM5KDM4EMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL3834177 0.70 GRM5 (0.59) PTK2GRM5KDM4EMAPTALDH1A1
SCHEMBL3836532 0.70 NCF1 (0.67) PTK2KDM4EMAPTALDH1A1GAA
SCHEMBL30307430 0.70 NCF1 (0.67) PTK2KDM4EMAPTALDH1A1GAA
SCHEMBL14843260 0.70 PTK2 (1.00) PTK2KDM4EMAPTALDH1A1GAA

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 5 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 disclosed
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP disclosed
CN-101346141-A Quinoline derivatives useful in the treatment of MGLUR5 receptor-mediated disorders RICHTER GEDEON NYRT (HU) 2009-01-14 CN disclosed
EP-1962849-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS Richter Gedeon NYRT (HU) 2008-09-03 EP disclosed
WO-2007072093-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2007-06-28 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-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS GRM5, GRIK5, GRM1 PTK2 4001/4885GRM5 1/4885KDM4E 3941/4885

“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.