SCHEMBL5863822

SCHEMBL5863822

O=C(c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)N(Cc1ccccc1C(F)(F)F)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.42
HTR2C P28335 5/20 0.42
HTR7 P34969 5/20 0.42
CCR5 P51681 6/20 0.41
CHRM5 P08912 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
TP53 P04637 1/20 0.39
ENPP2 Q13822 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL5863770 0.88 HTR7 (0.46) HTR2AHTR2CHTR7CCR5HTR1A
SCHEMBL5863413 0.88 HTR2A (0.49) HTR2AHTR2CHTR7CCR5HTR1A
SCHEMBL5863763 0.87 HTR7 (0.45) HTR2AHTR2CHTR7CCR5
SCHEMBL5863558 0.87 HDAC1 (0.49) HTR2AHTR2CHTR7CCR5HTR1A
SCHEMBL5863416 0.87 HTR2A (0.48) HTR2AHTR2CHTR7CCR5HDAC1
SCHEMBL5863971 0.84 HTR2A (0.43) HTR2AHTR2CHTR7CCR5HTR1A
SCHEMBL5863847 0.83 CCR5 (0.49) HTR2AHTR2CHTR7CCR5HTR1A
SCHEMBL5863296 0.83 CCR5 (0.46) HTR2AHTR2CHTR7CCR5HTR1A
SCHEMBL5864115 0.83 HTR2A (0.48) HTR2AHTR2CHTR7CCR5HTR1A
SCHEMBL5863566 0.82 CCR5 (0.45) HTR2AHTR2CHTR7CCR5TACR1

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-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC HTR2A 1170/4885HTR2C 1149/4885HTR7 1820/4885

“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.