SCHEMBL3710446

SCHEMBL3710446

CN(C)CCN(Cc1cccc(-c2ccc3[nH]c(=O)oc3c2)c1)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ AOC3 Q16853 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LIMK2 P53671 1/20 0.43
▸ HTR5A P47898 1/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ DBF4 Q9UBU7 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ PRKACG P22612 1/20 0.41
▸ PRKACB P22694 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ GRIN2D O15399 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
Hydrochloric Acid SCHEMBL3696054 0.99 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTAOC3
SCHEMBL3696784 0.92 AOC3 (0.43) KMT2AMEN1ALDH1A1MAPTAOC3
Hydrochloric Acid SCHEMBL3694444 0.91 AOC3 (0.43) KMT2AMEN1ALDH1A1MAPTAOC3
SCHEMBL3700833 0.85 MEN1 (0.50) KMT2AMEN1ALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL3694951 0.84 MEN1 (0.49) KMT2AMEN1ALDH1A1MAPTAOC3
SCHEMBL3705189 0.81 ROCK2 (0.46) KMT2AMEN1AOC3LIMK2HTR5A
Hydrochloric Acid SCHEMBL3699928 0.80 ROCK2 (0.46) KMT2AMEN1AOC3LIMK2HTR5A
SCHEMBL3699058 0.79 KDM4E (0.41) KMT2AMEN1ALDH1A1MAPTPDE3B
SCHEMBL3691947 0.76 ROCK2 (0.45) KMT2AMEN1AOC3HTR5AL3MBTL1
Hydrochloric Acid SCHEMBL3707748 0.75 ROCK2 (0.44) KMT2AMEN1AOC3L3MBTL1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP claimed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C KMT2A 178/4885MEN1 2413/4885ALDH1A1 785/4885

“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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