SCHEMBL6489398

SCHEMBL6489398

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)C1=C(c2ccc(C(F)(F)F)cc2)CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.50
HTR2C P28335 8/20 0.50
HTR2B P41595 7/20 0.50
EIF2AK3 Q9NZJ5 2/20 0.46
SMO Q99835 2/20 0.45
RIPK1 Q13546 3/20 0.43
MTTP P55157 2/20 0.42
APOB P04114 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL6489395 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BEIF2AK3SMO
SCHEMBL6488120 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BEIF2AK3SMO
SCHEMBL6489031 0.99 HTR2A (0.51) HTR2AHTR2CHTR2BEIF2AK3SMO
SCHEMBL6492599 0.98 HTR2A (0.51) HTR2AHTR2CHTR2BEIF2AK3SMO
SCHEMBL6489804 0.90 EIF2AK3 (0.48) HTR2AHTR2CHTR2BEIF2AK3
SCHEMBL6692999 0.90 EIF2AK3 (0.45) HTR2AHTR2CHTR2BEIF2AK3SMO
SCHEMBL6490739 0.90 EIF2AK3 (0.49) HTR2AHTR2CHTR2BEIF2AK3RIPK1
SCHEMBL6499110 0.90 EIF2AK3 (0.49) HTR2AHTR2CHTR2BEIF2AK3RIPK1
SCHEMBL6490743 0.90 EIF2AK3 (0.49) HTR2AHTR2CHTR2BEIF2AK3RIPK1
SCHEMBL6500118 0.89 HTR2C (0.49) HTR2AHTR2CHTR2BEIF2AK3RIPK1

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 3 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
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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 (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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 HTR2A 659/4885HTR2C 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.