SCHEMBL4033947

SCHEMBL4033947

FC(F)(F)c1ccc(N2CCC(CC3CCN(C4CCC4)CC3)CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.40
HRH3 Q9Y5N1 5/20 0.39
LCAT P04180 4/20 0.38
KDM2B Q8NHM5 4/20 0.38
OGA O60502 1/20 0.37
SCD O00767 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DGAT1 O75907 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL5208707 0.85 HRH3 (0.46) HRH3LCATOGA
Hydrochloric Acid SCHEMBL5212833 0.84 HRH3 (0.45) HRH3LCATOGA
SCHEMBL27814986 0.81 HRH3 (0.52) CXCR3HRH3LCATOGASCD
SCHEMBL4032380 0.80 OGA (0.47) CXCR3HRH3LCATOGA
Hydrochloric Acid SCHEMBL27602128 0.80 HRH3 (0.51) CXCR3HRH3LCATOGASCD
SCHEMBL13683689 0.78 HRH3 (0.53) HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL3858314 0.77 HRH3 (0.52) HRH3MEN1KMT2A
SCHEMBL20249315 0.73 KDM2B (0.46) HRH3KDM2B
SCHEMBL4034706 0.73 HRH3 (0.38) HRH3LCAT
SCHEMBL6828680 0.69 HRH4 (0.45) CXCR3HRH3LCATOGA

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-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US claimed
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP claimed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US claimed

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-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT CXCR3 3867/4885HRH3 620/4885LCAT 3798/4885

“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.