SCHEMBL6489804

SCHEMBL6489804

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)C1=C(c2ccc(F)cc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 6/20 0.48
HTR2C P28335 6/20 0.43
HTR2B P41595 6/20 0.43
HTR2A P28223 5/20 0.43
IDO1 P14902 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PAX8 Q06710 1/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 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
SCHEMBL6491014 0.92 EIF2AK3 (0.50) EIF2AK3HTR2CHTR2BHTR2AMAPT
SCHEMBL6500118 0.92 HTR2C (0.49) EIF2AK3HTR2CHTR2BHTR2AIDO1
SCHEMBL6489031 0.91 HTR2A (0.51) EIF2AK3HTR2CHTR2BHTR2A
SCHEMBL6499110 0.91 EIF2AK3 (0.49) EIF2AK3HTR2CHTR2BHTR2AMAPT
SCHEMBL6498678 0.91 EIF2AK3 (0.49) EIF2AK3HTR2CHTR2BHTR2AMAPT
SCHEMBL6490739 0.91 EIF2AK3 (0.49) EIF2AK3HTR2CHTR2BHTR2AMAPT
SCHEMBL6490743 0.91 EIF2AK3 (0.49) EIF2AK3HTR2CHTR2BHTR2AMAPT
SCHEMBL6489395 0.90 HTR2A (0.50) EIF2AK3HTR2CHTR2BHTR2A
SCHEMBL6488120 0.90 HTR2A (0.50) EIF2AK3HTR2CHTR2BHTR2A
SCHEMBL6489398 0.90 HTR2A (0.50) EIF2AK3HTR2CHTR2BHTR2A

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
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 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 (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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 EIF2AK3 2638/4885HTR2C 2433/4885HTR2B 928/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 EIF2AK3 3626/4885HTR2C 1453/4885HTR2B 490/4885

“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.