SCHEMBL2308698

SCHEMBL2308698

CC1(c2ccccc2)CCCNC1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.53
GRIN2A Q12879 3/20 0.53
GRIN2B Q13224 1/20 0.46
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CXCR3 P49682 1/20 0.39
PTGER3 P43115 8/20 0.39
OPRM1 P35372 2/20 0.37
CYP2C9 P11712 1/20 0.36
OPRL1 P41146 1/20 0.36
MMP1 P03956 1/20 0.35

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
SCHEMBL22147812 0.89 GRIN1 (0.49) GRIN1GRIN2AGRIN2BMMP2MMP9
SCHEMBL27229513 0.89 GRIN1 (0.49) GRIN1GRIN2AGRIN2BMMP2MMP9
SCHEMBL21848155 0.83 GRIN1 (0.40) GRIN1GRIN2AGRIN2BMMP2MMP9
SCHEMBL2313192 0.78 GRIN1 (0.55) GRIN1GRIN2AGRIN2BMMP2MMP9
Hydrochloric Acid SCHEMBL6818616 0.74 GRIN1 (0.51) GRIN1GRIN2AGRIN2BMEN1KMT2A
SCHEMBL17873427 0.73 PTGER3 (0.40) GRIN1GRIN2APTGER3
SCHEMBL459724 0.73 DDB1 (0.51) MMP2MMP9MEN1KMT2ACYP1A2
SCHEMBL11216766 0.73 GRIN1 (0.50) GRIN1GRIN2AGRIN2BMEN1KMT2A
SCHEMBL19370835 0.73 DDB1 (0.51) MMP2MMP9MEN1KMT2ACYP1A2
SCHEMBL512374 0.72 MEN1 (0.44) MMP2MMP9MEN1KMT2APOLB

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-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP 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 (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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D GRIN1 124/4885GRIN2A 239/4885GRIN2B 165/4885

“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.