SCHEMBL2382229

SCHEMBL2382229

O=C(O)CN1CCC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.40
HSD11B1 P28845 7/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
TET3 O43151 1/20 0.38
FBXL19 Q6PCT2 1/20 0.38
CXXC5 Q7LFL8 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
CXXC4 Q9H2H0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
LMNA P02545 1/20 0.38
CCR3 P51677 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
SCHEMBL2310569 0.86 CYP2D6 (0.46) HSD11B1CYP2D6CYP2C19KMT2APOLB
SCHEMBL2306003 0.85 HSD11B1 (0.43) HSD11B1CYP2D6CYP2C19KMT2APOLB
SCHEMBL2380691 0.84 L3MBTL1 (0.46) HSD11B1CYP2C19KMT2ACYP2C9L3MBTL1
SCHEMBL2379311 0.81 OPRM1 (0.48) TSHRLMNA
SCHEMBL2381294 0.81 L3MBTL1 (0.48) HSD11B1CYP2C19CYP2C9L3MBTL1CYP3A4
SCHEMBL2309991 0.78 ADRA1B (0.41) HSD11B1CYP2D6CYP2C19KMT2APOLB
SCHEMBL2311285 0.78 ALDH1A1 (0.44) HSD11B1CYP2D6CYP2C19KMT2APOLB
SCHEMBL2310822 0.77 HSD11B1 (0.44) HSD11B1CYP2D6CYP2C19KMT2ACYP2C9
SCHEMBL2542785 0.74 ALDH1A1 (0.57) KMT2APOLBTSHRL3MBTL1LMNA
SCHEMBL2305958 0.73 CACNA2D1 (0.59)

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 SLC6A9 2836/4885HSD11B1 1413/4885CYP2D6 2405/4885

“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.