SCHEMBL4377229

SCHEMBL4377229

CCCN1CCN(C(=O)CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
CNR1 P21554 1/20 0.44
USP2 O75604 4/20 0.44
MC4R P32245 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CACNA1F O60840 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL3457723 0.87 HRH3 (0.68) HRH3TSHRGAACNR1MC4R
SCHEMBL4377858 0.87 MEN1 (0.51) HRH3ALDH1A1CNR1USP2CYP1A2
SCHEMBL13636484 0.86 DRD2 (0.40) HRH3TSHRALDH1A1USP2CYP1A2
SCHEMBL28015767 0.79 USP2 (0.54) TSHRALDH1A1MAPTUSP2CYP1A2
SCHEMBL4379259 0.78 ALDH1A1 (0.57) HRH3TSHRALDH1A1GAAMAPT
SCHEMBL4377866 0.74 TSHR (0.55) TSHRGAAMAPTL3MBTL1HTR1A
SCHEMBL24745090 0.72 CHRNB2 (0.48) ALDH1A1GAAMAPTUSP2L3MBTL1
SCHEMBL5540704 0.71 USP2 (0.51) TSHRALDH1A1USP2CYP1A2CYP2C19
SCHEMBL2924853 0.70 ALDH1A1 (0.56) TSHRALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL28168509 0.70 IAPP (0.49) MAPT

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 10 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
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO 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 HRH3 1/4885TSHR 621/4885ALDH1A1 1907/4885

“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.