SCHEMBL13636252

SCHEMBL13636252

O=C(Cc1ccc(-c2ccc(F)cc2)cc1)N1CCN(CC2CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52
ME3 Q16798 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
MLNR O43193 2/20 0.49
CYP3A4 P08684 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 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 SCHEMBL4379415 0.99 POLB (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL22874894 0.80 SMN1; SMN2 (0.65) POLBMEN1KMT2AALDH1A1ME2
SCHEMBL13636209 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL4390864 0.77 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL7323131 0.76 FKBP1A (0.61) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL22874890 0.76 SMN1; SMN2 (0.54) POLBMEN1KMT2AALDH1A1ME2
SCHEMBL13636028 0.76 POLB (0.56) POLBMEN1KMT2AALDH1A1ME2
SCHEMBL13636211 0.76 POLB (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL20386535 0.75 SMN1; SMN2 (0.59) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL14115766 0.75 POLB (0.58) POLBMEN1KMT2AALDH1A1ME2

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 3551/4885MEN1 2570/4885KMT2A 295/4885

“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.