SCHEMBL5864115

SCHEMBL5864115

O=C(c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1)N(Cc1ccccn1)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.48
HTR1A P08908 6/20 0.48
HTR7 P34969 6/20 0.43
HTR2C P28335 5/20 0.43
DRD4 P21917 2/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR2B P41595 1/20 0.43
CCR5 P51681 3/20 0.41
DRD2 P14416 3/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F2 P00734 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 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
SCHEMBL5863558 0.88 HDAC1 (0.49) HTR2AHTR1AHTR7HTR2CCCR5
SCHEMBL5863847 0.88 CCR5 (0.49) HTR2AHTR1AHTR7HTR2CCCR5
SCHEMBL5863532 0.87 TSHR (0.48) HTR2AHTR1AHTR7DRD4ADRA1A
SCHEMBL5863529 0.86 CCR5 (0.43) HTR2AHTR1AHTR7HTR2CCCR5
SCHEMBL5863296 0.84 CCR5 (0.46) HTR2AHTR1AHTR7HTR2CCCR5
SCHEMBL5863971 0.83 HTR2A (0.43) HTR2AHTR1AHTR7HTR2CCCR5
SCHEMBL5863560 0.83 CCR5 (0.45) HTR2AHTR1AHTR7HTR2CCCR5
SCHEMBL5863566 0.83 CCR5 (0.45) HTR2AHTR1AHTR7HTR2CCCR5
SCHEMBL5863840 0.83 TMEM97 (0.42) HTR2AHTR1AHTR7HTR2CCCR5
SCHEMBL5863838 0.83 TMEM97 (0.42) HTR2AHTR1AHTR7HTR2CCCR5

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 1170/4885HTR1A 1305/4885HTR7 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.