SCHEMBL3873527

SCHEMBL3873527

COc1ccc(C2C(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALDH1A1 P00352 6/20 0.56
TSHR P16473 5/20 0.56
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
FFAR1 O14842 1/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MDM2 Q00987 4/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL3871921 0.90 TSHR (0.56) MAPTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL3871491 0.86 MAPT (0.76) MAPTALDH1A1KDM4EFFAR1MDM2
SCHEMBL27797552 0.85 ALDH1A1 (0.56) MAPTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL3868122 0.81 ALDH1A1 (0.60) MAPTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL2339500 0.77 GAA (0.70) MAPTALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL29921276 0.77 MDM2 (0.69) MAPTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL2098844 0.77 MDM2 (0.69) MAPTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL29921285 0.76 MDM2 (0.65) MAPTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL2098984 0.76 MDM2 (0.65) MAPTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL27797555 0.75 TSHR (0.47) MAPTALDH1A1TSHRKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US claimed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 EP claimed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 WO claimed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 US disclosed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US disclosed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 EP disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 WO disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 WO 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-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B MAPT 1266/4885ALDH1A1 4124/4885TSHR 2569/4885

“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.