SCHEMBL8219874

SCHEMBL8219874

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1C(=O)NCc1ccccn1)CCCC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.60
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
MGAM O43451 1/20 0.57
AMY1A P0DUB6 1/20 0.57
MAPT P10636 4/20 0.53
TP53 P04637 3/20 0.53
RORC P51449 2/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 2/20 0.52
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL8223001 0.93 GRM1 (0.60) GRM1ALDH1A1MEN1HPGDKMT2A
SCHEMBL8225245 0.87 GRM1 (0.62) GRM1ALDH1A1MEN1HPGDKMT2A
SCHEMBL8222807 0.86 AMY1A (0.62) GRM1ALDH1A1MEN1HPGDKMT2A
SCHEMBL8223635 0.86 GRM1 (0.60) GRM1ALDH1A1MEN1HPGDKMT2A
SCHEMBL1006407 0.85 SMN1; SMN2 (0.62) MAPTTP53GAATSHRHSD17B10
SCHEMBL3452916 0.84 GRM1 (0.69) GRM1ALDH1A1MEN1HPGDKMT2A
SCHEMBL8225542 0.83 GRM1 (0.59) GRM1ALDH1A1MEN1HPGDKMT2A
SCHEMBL8223745 0.83 GRM1 (0.70) GRM1ALDH1A1MEN1HPGDKMT2A
SCHEMBL3451925 0.82 GRM1 (0.69) GRM1ALDH1A1MEN1HPGDKMT2A
SCHEMBL8223802 0.82 GRM1 (0.68) GRM1ALDH1A1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041124-B1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS MSD OSS BV (NL) 2013-06-26 EP disclosed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-7820707-B2 Heterocyclic derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 US disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 US disclosed
WO-2008003452-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. ORGANON (NL) 2008-01-10 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-20080255086-A1 Heterocyclic Derivatives GRIN2C, GRIN3A, GRIN1 GRM1 25/4885ALDH1A1 453/4885MEN1 4255/4885

“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.