SCHEMBL4376289

SCHEMBL4376289

O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ KCNA5 P22460 1/20 0.60
▸ AKR1C3 P42330 1/20 0.58
▸ CYP3A4 P08684 3/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ EPHX2 P34913 3/20 0.56
▸ HRH3 Q9Y5N1 2/20 0.56
▸ SLC6A7 Q99884 1/20 0.54
▸ MGLL Q99685 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HSD11B1 P28845 1/20 0.52
▸ MAPK7 Q13164 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NAMPT P43490 1/20 0.51

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
SCHEMBL4376118 0.81 HRH3 (0.60) KCNA5HRH3KDM4EHTT
SCHEMBL4377865 0.81 PANK3 (0.63) ALDH1A1SMN1; SMN2KCNA5HRH3
SCHEMBL7810083 0.80 ALDH1A1 (0.69) ALDH1A1GAASMN1; SMN2KCNA5AKR1C3
SCHEMBL1947493 0.79 L3MBTL1 (0.64) SMN1; SMN2EPHX2HRH3
SCHEMBL13841325 0.78 EPHX2 (0.81) ALDH1A1CYP2D6CYP1A2EPHX2HRH3
SCHEMBL12082812 0.78 LMNA (0.69) ALDH1A1GAASMN1; SMN2AKR1C3CYP3A4
SCHEMBL6791126 0.78 SMN1; SMN2 (0.67) ALDH1A1GAASMN1; SMN2AKR1C3CYP3A4
SCHEMBL7956657 0.78 SMN1; SMN2 (0.67) ALDH1A1GAASMN1; SMN2AKR1C3CYP3A4
SCHEMBL95296 0.78 SMN1; SMN2 (0.67) ALDH1A1GAASMN1; SMN2AKR1C3CYP3A4
SCHEMBL27629727 0.78 HPGD (0.65) ALDH1A1GAAEPHX2HRH3MGLL

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 8 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 claimed
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-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
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 ALDH1A1 1907/4885GAA 2830/4885SMN1; SMN2 2684/4885

“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.

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