SCHEMBL13604751

SCHEMBL13604751

CCN1CCC[C@@H]1CN(Cc1cc(-c2ccc3[nH]c(=O)oc3c2)ccc1F)C(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.46
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41
▸ GRIN3A Q8TCU5 2/20 0.41
▸ ALDH1A1 P00352 8/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NR3C2 P08235 4/20 0.40
▸ KDM4E B2RXH2 8/20 0.39
▸ HSD17B10 Q99714 4/20 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
SCHEMBL3697398 1.00 HSP90AA1 (0.46) HSP90AA1KMT2AMEN1GRIN2DGRIN3B
Trifluoroacetic Acid SCHEMBL3703375 0.96 HSP90AA1 (0.43) HSP90AA1KMT2AMEN1GRIN2DGRIN3B
Trifluoroacetic Acid SCHEMBL3703374 0.96 HSP90AA1 (0.43) HSP90AA1KMT2AMEN1GRIN2DGRIN3B
Trifluoroacetic Acid SCHEMBL3695603 0.83 HSP90AA1 (0.40) HSP90AA1KMT2AMEN1GRIN2DGRIN3B
Trifluoroacetic Acid SCHEMBL3695605 0.83 HSP90AA1 (0.40) HSP90AA1KMT2AMEN1GRIN2DGRIN3B
SCHEMBL3696032 0.83 HSP90AA1 (0.44) HSP90AA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL3692489 0.80 GRIN2D (0.46) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL3699058 0.78 KDM4E (0.41) KMT2AMEN1GRIN2DGRIN3BGRIN1
Trifluoroacetic Acid SCHEMBL3710208 0.78 NR3C2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3698963 0.78 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSP90AA1 4285/4885KMT2A 178/4885MEN1 2413/4885

“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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