SCHEMBL3873940

SCHEMBL3873940

O=C(NCCc1ccccc1)C1CCC(C(Cc2c(F)cccc2Cl)n2c(=O)[nH]c3ccccc3c2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3871091 0.81 KMT2A (0.50) NPSR1POLBLMNARXFP1MAPT
SCHEMBL3867636 0.74 KMT2A (0.44) NPSR1LMNAMAPTTDP1ALDH1A1
SCHEMBL6520182 0.71 POLB (0.69) POLBLMNARXFP1MAPTTP53
SCHEMBL23417495 0.66 CYP2C19 (0.68) POLBLMNAMAPTALDH1A1KDM4E
SCHEMBL11960890 0.64 MAPK10 (0.63) NPSR1POLBLMNARXFP1MAPT
SCHEMBL11893691 0.63 KMT2A (0.47) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL11893690 0.63 KMT2A (0.47) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL2472420 0.63 P2RX7 (0.62) POLBMAPTALDH1A1KMT2AHTT
SCHEMBL7272444 0.62 TAAR1 (0.64) NPSR1POLBLMNAMAPTALDH1A1
SCHEMBL4034002 0.60 CYP2C19 (0.60) POLBLMNAALDH1A1KDM4EKMT2A

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 7 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-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

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 NPSR1 1021/4885POLB 4842/4885LMNA 2068/4885

“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.

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