SCHEMBL5863777

SCHEMBL5863777

O=C(NCC(F)(F)F)c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DRD4 P21917 1/20 0.49
PRKD1 Q15139 1/20 0.49
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.45

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
SCHEMBL5863335 0.82 KDM4E (0.57) HSD17B10DRD2HTR7
SCHEMBL5863790 0.82 MEN1 (0.51) MAPTPOLBHSD17B10DRD4HTR1A
SCHEMBL5864074 0.78 SIGMAR1 (0.42) HTR7
SCHEMBL5864044 0.76 CCR5 (0.42) HTR7
SCHEMBL5864261 0.76 ENPP2 (0.55) HSD17B10HTR1A
SCHEMBL5863895 0.76 KCNA3 (0.54) MAPTHSD17B10HTR7
SCHEMBL5863963 0.76 HTR2C (0.51)
SCHEMBL5863488 0.75 CCR5 (0.46)
SCHEMBL5863992 0.75 CCR5 (0.51)
SCHEMBL5863846 0.75 SMN1; SMN2 (0.52) MAPTDRD2

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 MAPT 4733/4885POLB 1984/4885HSD17B10 345/4885

“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.