SCHEMBL4377309

SCHEMBL4377309

CCC(CC)N1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.74
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 1/20 0.64
TP53 P04637 1/20 0.64
CNR1 P21554 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CACNA2D1 P54289 1/20 0.49
CACNA1B Q00975 1/20 0.49
CACNB1 Q02641 1/20 0.49
CACNA1C Q13936 1/20 0.49

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 SCHEMBL4380489 0.99 HRH3 (0.74) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4388880 0.85 HRH3 (1.00) HRH3KDM4EALDH1A1TP53CNR1
Hydrochloric Acid SCHEMBL4383019 0.84 HRH3 (1.00) HRH3KDM4EALDH1A1TP53CNR1
SCHEMBL10576190 0.84 MEN1 (0.78) HRH3MEN1KMT2ACNR1CYP1A2
SCHEMBL20349607 0.82 KMT2A (1.00) MEN1KMT2AKDM4EALDH1A1CNR1
SCHEMBL9563917 0.81 KMT2A (0.97) MEN1KMT2AKDM4EALDH1A1CNR1
SCHEMBL18724726 0.79 MEN1 (0.78) MEN1KMT2AALDH1A1CNR1CYP1A2
SCHEMBL10589645 0.78 KMT2A (0.72) MEN1KMT2AKDM4EALDH1A1CNR1
SCHEMBL4380655 0.78 TRPV1 (0.54) HRH3MEN1KMT2AALDH1A1
SCHEMBL19745509 0.78 KMT2A (0.76) MEN1KMT2AALDH1A1CNR1CYP1A2

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 7 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
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 HRH3 1/4885MEN1 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.