SCHEMBL2380937

SCHEMBL2380937

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
AGTR2 P50052 2/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 3/20 0.37
PRSS1 P07477 2/20 0.37
CHRM3 P20309 1/20 0.37
GRIN2B Q13224 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
BCHE P06276 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 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
SCHEMBL2379778 0.84 DDR1 (0.45) MEN1KMT2AGRIN2BALDH1A1LMNA
SCHEMBL2380587 0.81 PARP1 (0.40) DRD2DRD4F2PRSS1CHRM3
SCHEMBL2535993 0.78 OPRL1 (0.36) ALDH1A1MAPK1OPRM1OPRL1
SCHEMBL2538171 0.78 OPRL1 (0.36) ALDH1A1MAPK1OPRM1OPRL1
SCHEMBL2381495 0.76 AGTR2 (0.54) DRD2DRD4AGTR2MEN1KMT2A
SCHEMBL4407953 0.76 AGTR2 (0.54) DRD2DRD4AGTR2MEN1KMT2A
SCHEMBL2381743 0.75 CYP2D6 (0.53) CHRM3ALDH1A1MAPK1HPGD
SCHEMBL1983977 0.74 AGTR2 (0.53) AGTR2GRIN2BALDH1A1BCHEMAOB
SCHEMBL1983978 0.74 AGTR2 (0.53) AGTR2GRIN2BALDH1A1BCHEMAOB
SCHEMBL1987132 0.74 AGTR2 (0.53) AGTR2GRIN2BALDH1A1BCHEMAOB

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 2 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
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 2636/4885DRD4 3374/4885AGTR2 213/4885

“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.