SCHEMBL4377582

SCHEMBL4377582

COc1ccc(C=CC(=O)N2CCN(C3CCCC3)CC2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 3/20 0.57
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 1/20 0.52
PTGS2 P35354 5/20 0.50
TNFRSF1A P19438 1/20 0.50
PTGS1 P23219 2/20 0.49
RAB9A P51151 2/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.48
LY96 Q9Y6Y9 1/20 0.48
KDM2B Q8NHM5 2/20 0.47

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
SCHEMBL14190938 1.00 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL14190923 0.99 KDM4E (0.58) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL4382800 0.99 KDM4E (0.58) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL2829560 0.91 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL3773289 0.89 KDM4E (0.51) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL3773292 0.89 KDM4E (0.51) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL3769008 0.81 RAB9A (0.49) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL3769019 0.81 RAB9A (0.49) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL14218123 0.81 TDP1 (0.64) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL13636365 0.81 HPGD (0.47) SMN1; SMN2KDM4EMAPTALDH1A1KMT2A

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 SMN1; SMN2 2684/4885KDM4E 1567/4885LMNA 4304/4885

“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.