SCHEMBL2380976

SCHEMBL2380976

O=C1NCCC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
F7 P08709 1/20 0.36
PARP1 P09874 1/20 0.36
F3 P13726 1/20 0.36
PARP10 Q53GL7 1/20 0.36
HDAC4 P56524 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
PPOX P50336 1/20 0.34
AHR P35869 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CMA1 P23946 1/20 0.34
HSD11B1 P28845 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL2309479 0.81 DAO (0.39) GRIN1GRIN2AGRIN2BSLC6A3HSD11B1
SCHEMBL2308362 0.80 GRIN1 (0.51) KMT2AGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL29616133 0.78 GRIN1 (0.50) KMT2AGRIN1GRIN2AGRIN2B
SCHEMBL2480451 0.78 PDE7A (0.47) KMT2AAHRCMA1HTR6
SCHEMBL15972683 0.74 DRD2 (0.37) DRD2MAPK1KMT2AF7PARP1
SCHEMBL18822477 0.70 DRD2 (0.38) DRD2HDAC4GRIN1GRIN2AGRIN2B
SCHEMBL18794831 0.70 DRD2 (0.38) DRD2HDAC4GRIN1GRIN2AGRIN2B
SCHEMBL18822478 0.70 DRD2 (0.38) DRD2HDAC4GRIN1GRIN2AGRIN2B
SCHEMBL2307237 0.70 GRIN1 (0.39) PARP1GRIN1GRIN2AGRIN2BSLC6A4
SCHEMBL2313192 0.69 GRIN1 (0.55) KMT2AGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 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

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-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S DRD2 2636/4885MAPK1 3094/4885KMT2A 3673/4885

“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.