SCHEMBL4382800

SCHEMBL4382800

COc1ccc(C=CC(=O)N2CCN(C3CCCCC3)CC2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 1/20 0.51
PTGS2 P35354 5/20 0.51
TSHR P16473 1/20 0.50
PKM P14618 1/20 0.49
TNFRSF1A P19438 1/20 0.49
PTGS1 P23219 2/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL14190923 1.00 KDM4E (0.58) KDM4ELMNAGAASMN1; SMN2ALDH1A1
SCHEMBL14190938 0.99 SMN1; SMN2 (0.59) KDM4ELMNAGAASMN1; SMN2ALDH1A1
SCHEMBL4377582 0.99 SMN1; SMN2 (0.59) KDM4ELMNAGAASMN1; SMN2ALDH1A1
SCHEMBL2829560 0.90 SMN1; SMN2 (0.59) KDM4ELMNAGAASMN1; SMN2ALDH1A1
SCHEMBL3773292 0.88 KDM4E (0.51) KDM4ELMNAGAASMN1; SMN2ALDH1A1
SCHEMBL3773289 0.88 KDM4E (0.51) KDM4ELMNAGAASMN1; SMN2ALDH1A1
SCHEMBL4382018 0.81 HCAR2 (0.48) KDM4ESMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL14190928 0.81 HCAR2 (0.48) KDM4ESMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL14190924 0.81 PKM (0.60) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL4380678 0.81 PKM (0.60) KDM4EGAAALDH1A1KMT2AMAPT

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 KDM4E 1567/4885LMNA 4304/4885GAA 2830/4885

“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.