SCHEMBL3141234

SCHEMBL3141234

CCN(CC(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ TSHR P16473 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NOX1 Q9Y5S8 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ CNR2 P34972 3/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL13603918 0.88 NPSR1 (0.44) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL11562585 0.86 ALDH1A1 (0.52) MEN1KMT2ATSHRALDH1A1NPC1
Diethylaniline SCHEMBL28333434 0.86 MEN1 (0.59) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL1132513 0.84 ALDH1A1 (0.53) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL2157377 0.83 ALDH1A1 (0.64) MEN1KMT2ATSHRALDH1A1NPC1
Hydrochloric Acid SCHEMBL8226907 0.82 ALDH1A1 (0.52) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL13644987 0.82 TDP1 (0.47) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL7439082 0.82 CNR2 (0.46) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL22026428 0.81 AOC3 (0.54) MEN1KMT2ATSHRALDH1A1NPC1
SCHEMBL3868884 0.81 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1NPC1

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 19 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
CN-101686952-A Novel agents of calcium ion channel modulators VM DISCOVERY INC 2010-03-31 — — CN 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
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 — — EP claimed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 — — WO claimed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 — — EP claimed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS — 1998-08-20 — — WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 — — 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
CN-101686952-A Novel agents of calcium ion channel modulators VM DISCOVERY INC 2010-03-31 — — CN disclosed
US-20100075993-A1 SMALL MOLECULE INHIBITORS AGAINST WEST NILE VIRUS REPLICATION DREXEL UNIVERSITY (US) 2010-03-25 — — US disclosed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP disclosed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 — — EP disclosed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 — — WO disclosed
EP-0714885-B1 Preparation process of aminoacetamide derivative EISAI CO LTD (JP) 1999-09-01 — — EP disclosed
EP-0714885-A2 Preparation process of aminoacetamide derivative EISAI CHEMICAL CO., LTD. (JP) 1996-06-05 — — EP 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 (2 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-20100075993-A1 SMALL MOLECULE INHIBITORS AGAINST WEST NILE VIRUS REPLICATION MAVS, ZC3HAV1, KDM4E MEN1 3272/4885KMT2A 46/4885TSHR 4741/4885
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B MEN1 3058/4885KMT2A 3399/4885TSHR 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.

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