SCHEMBL3700833

SCHEMBL3700833

CN(C)CCN(Cc1ccccc1)Cc1cccc(-c2ccc3[nH]c(=O)oc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CALM1 P0DP23 1/20 0.46
▸ CAMKK2 Q96RR4 1/20 0.46
▸ CDC7 O00311 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ DBF4 Q9UBU7 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ TP53 P04637 1/20 0.40
▸ NOS1 P29475 1/20 0.39
▸ VSIR Q9H7M9 1/20 0.39
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38

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 SCHEMBL3694951 0.99 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1CALM1
SCHEMBL3710446 0.85 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1CDC7
Hydrochloric Acid SCHEMBL3696054 0.84 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1CDC7
SCHEMBL3702044 0.82 CALM1 (0.49) MEN1KMT2AMAPTALDH1A1CALM1
Hydrochloric Acid SCHEMBL3702757 0.81 CALM1 (0.48) MEN1KMT2AMAPTALDH1A1CALM1
SCHEMBL3694876 0.79 PGR (0.49) MEN1KMT2AALDH1A1CALM1CAMKK2
SCHEMBL3696456 0.79 PPM1D (0.45) MEN1KMT2AMAPTALDH1A1CDK2
Hydrochloric Acid SCHEMBL3693011 0.78 PGR (0.48) MEN1KMT2AALDH1A1CALM1CAMKK2
SCHEMBL3696784 0.78 AOC3 (0.43) MEN1KMT2AMAPTALDH1A1PDE3B
Hydrochloric Acid SCHEMBL3694444 0.78 AOC3 (0.43) MEN1KMT2AMAPTALDH1A1PDE3B

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 6 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
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP disclosed
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 MEN1 2413/4885KMT2A 178/4885MAPT 3215/4885

“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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