SCHEMBL13636211

SCHEMBL13636211

O=C(Cc1ccc(-c2ccc(F)cc2)cc1)N1CCN(C2CCOCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MAPT P10636 3/20 0.55
PKM P14618 2/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52
ME3 Q16798 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR1 P21554 1/20 0.47
ALOX12 P18054 1/20 0.47
HDAC4 P56524 1/20 0.47

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
Hydrochloric Acid SCHEMBL4382900 0.99 POLB (0.55) POLBMAPTPKMALDH1A1KDM4E
SCHEMBL3774201 0.78 ALDH1A1 (0.61) POLBMAPTPKMALDH1A1KDM4E
SCHEMBL22874894 0.77 SMN1; SMN2 (0.65) POLBMAPTPKMALDH1A1ME2
SCHEMBL13636252 0.76 POLB (0.57) POLBMAPTPKMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4379415 0.75 POLB (0.56) POLBMAPTPKMALDH1A1KDM4E
SCHEMBL22874890 0.73 SMN1; SMN2 (0.54) POLBMAPTPKMALDH1A1ME2
SCHEMBL13636028 0.73 POLB (0.56) POLBMAPTPKMALDH1A1ME2
SCHEMBL340675 0.73 HTR2A (0.48) PKMLMNA
Hydrochloric Acid SCHEMBL4380564 0.72 POLB (0.55) POLBMAPTPKMALDH1A1ME2
SCHEMBL26179616 0.72 POLB (0.71) POLBMAPTALDH1A1ME2ME1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 POLB 3551/4885MAPT 1441/4885PKM 2476/4885

“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.