SCHEMBL4377341

SCHEMBL4377341

CCCN1CCN(C=CC(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.56
KCNJ1 P48048 2/20 0.49
KCNH2 Q12809 2/20 0.49
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MAOB P27338 4/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOA P21397 2/20 0.45
HTR1A P08908 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL4376217 0.83 MAPT (0.45) ALDH1A1LMNAKMT2AHPGDCYP1B1
SCHEMBL4377310 0.82 RAB9A (0.60) ALDH1A1LMNAKMT2AHPGDCYP1B1
SCHEMBL4383186 0.82 TSHR (0.45) ALDH1A1LMNAKMT2AHPGDMAOB
SCHEMBL4384484 0.82 MAPT (0.53) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL4379301 0.82 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL4375406 0.80 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL4383715 0.80 HTT (0.43) ALDH1A1KMT2AHPGDCYP1B1SMN1; SMN2
SCHEMBL4384007 0.80 ALDH1A1 (0.46) ALDH1A1LMNAKMT2A
SCHEMBL4379024 0.80 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL4377283 0.77 HRH3 (0.50) ALDH1A1LMNAKMT2AHPGDCYP1B1

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 4 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-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 1907/4885LMNA 4304/4885KCNJ1 486/4885

“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.