SCHEMBL287592

SCHEMBL287592

O=C(CN1C=CCC(c2cc(COc3ccccc3)nn2-c2ccccc2)=C1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.41
PTGS2 P35354 2/20 0.40
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
CYP1A2 P05177 2/20 0.38
MDM2 Q00987 1/20 0.38
GRM3 Q14832 2/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL287222 0.88 ALDH1A1 (0.41) GRM5PTGS2SLC16A3SLC16A1MCTS1
SCHEMBL661119 0.85 FAAH (0.42) GRM5PTGS2SLC16A3SLC16A1MCTS1
SCHEMBL661658 0.72 GRM5 (0.38) GRM5CYP1A2
SCHEMBL287891 0.72 ALDH1A1 (0.34) GRM5
SCHEMBL298250 0.72 GPBAR1 (0.36) GRM5
SCHEMBL287276 0.69 ALDH1A1 (0.35) GRM5PTGS2
SCHEMBL662688 0.66 ALDH1A1 (0.35)
SCHEMBL287329 0.65 MAPT (0.40) GRM5
SCHEMBL27854995 0.65 ALDH1A1 (0.41)
SCHEMBL661116 0.64 POLB (0.38)

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
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT GRM5 2559/4885PTGS2 993/4885SLC16A3 3352/4885

“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.