SCHEMBL2379778

SCHEMBL2379778

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CC2CN(Cc3ccccc3)CC2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.45
GRIN2B Q13224 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2D6 P10635 2/20 0.39
OPRL1 P41146 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 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
SCHEMBL2380937 0.84 DRD2 (0.42) GRIN2BMEN1KMT2AALDH1A1LMNA
SCHEMBL2379743 0.84 CHRNB2 (0.43) ALDH1A1LMNASMN1; SMN2OPRL1OPRM1
SCHEMBL2381743 0.83 CYP2D6 (0.53) ALDH1A1MAPK1CYP2D6TSHRCYP3A4
SCHEMBL2381188 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2381186 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2311622 0.80 ATM (0.57) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2380597 0.80 PARP1 (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2381083 0.80 PARP1 (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2314391 0.78 SIGMAR1 (0.51) ALDH1A1OPRL1
SCHEMBL2308063 0.78 OPRM1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT

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 DDR1 2191/4885GRIN2B 248/4885MEN1 470/4885

“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.