SCHEMBL2543025

SCHEMBL2543025

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MDM2 Q00987 1/20 0.46
MCL1 Q07820 1/20 0.44

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
SCHEMBL2310361 0.92 TP53 (0.57) HPGDTSHRSMN1; SMN2KMT2AGAA
SCHEMBL2313161 0.89 HDAC6 (0.47) HPGDKDM4EPOLBLMNAALDH1A1
SCHEMBL2309381 0.86 POLB (0.54) POLBLMNAKMT2AMEN1GAA
SCHEMBL2535979 0.84 MEN1 (0.39) HPGDLMNAKMT2AMEN1ALDH1A1
SCHEMBL2542370 0.82 HDAC3 (0.48)
SCHEMBL2538007 0.82 NAMPT (0.45) HPGDTSHRKDM4EPOLBALDH1A1
SCHEMBL2313205 0.82 EPHX2 (0.50)
SCHEMBL2310569 0.82 CYP2D6 (0.46) POLBLMNAKMT2AALDH1A1
SCHEMBL2544151 0.81 OPRM1 (0.39) KDM4ELMNAKMT2AMEN1
SCHEMBL2359616 0.81 NAMPT (0.40) TSHRKDM4E

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 claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D HPGD 3286/4885HTT 2002/4885USP2 3774/4885

“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.