SCHEMBL4375406

SCHEMBL4375406

CCCN1CCN(C=CC(=O)c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
USP2 O75604 3/20 0.42
ALOX12 P18054 2/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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 0.85 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4377310 0.84 RAB9A (0.60) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL4383186 0.84 TSHR (0.45) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4383715 0.82 HTT (0.43) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL4379029 0.80 TNFRSF1A (0.48) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL4377341 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL4377283 0.79 HRH3 (0.50) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL4382095 0.79 KDM2B (0.50) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL17465266 0.77 HPGD (0.70) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL4380698 0.76 DRD2 (0.51) ALDH1A1MAPTSMN1; SMN2MAPK1LMNA

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 1907/4885MAPT 1441/4885SMN1; 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.