SCHEMBL2313192

SCHEMBL2313192

O=C1NCCCC1(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.55
GRIN2A Q12879 3/20 0.55
GRIN2B Q13224 1/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 2/20 0.42
CXCR3 P49682 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRM1 P35372 2/20 0.39
HTR2A P28223 2/20 0.37
CACNA1F O60840 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HRH1 P35367 1/20 0.37
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37

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
SCHEMBL11216766 0.94 GRIN1 (0.50) GRIN1GRIN2AGRIN2BMEN1KMT2A
SCHEMBL13962905 0.92 GRIN1 (0.49) GRIN1GRIN2AGRIN2BMEN1KMT2A
SCHEMBL2308362 0.88 GRIN1 (0.51) GRIN1GRIN2AGRIN2BMEN1KMT2A
Hydrochloric Acid SCHEMBL29616133 0.86 GRIN1 (0.50) GRIN1GRIN2AGRIN2BMEN1KMT2A
SCHEMBL2307237 0.81 GRIN1 (0.39) GRIN1GRIN2AGRIN2BPOLBOPRM1
SCHEMBL11057716 0.78 GRIN1 (0.47) GRIN1GRIN2AGRIN2BMEN1KMT2A
SCHEMBL2308698 0.78 GRIN1 (0.53) GRIN1GRIN2AGRIN2BMEN1KMT2A
Hydrochloric Acid SCHEMBL6818616 0.77 GRIN1 (0.51) GRIN1GRIN2AGRIN2BMEN1KMT2A
SCHEMBL18794819 0.73 GRIN1 (0.51) GRIN1GRIN2AGRIN2BMEN1KMT2A
SCHEMBL18822335 0.73 GRIN1 (0.48) GRIN1GRIN2AGRIN2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP claimed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO claimed
US-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 US disclosed
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
WO-2011115813-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 WO disclosed
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 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 (3 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D GRIN1 124/4885GRIN2A 239/4885GRIN2B 165/4885
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S GRIN1 67/4885GRIN2A 387/4885GRIN2B 248/4885
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles AZI2, NIT2, NISCH GRIN1 508/4885GRIN2A 916/4885GRIN2B 480/4885

“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.