SCHEMBL4379550

SCHEMBL4379550

O=C(CSc1cccc2cccc(Cl)c12)N1CCN(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPT P10636 7/20 0.49
HPGD P15428 6/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
RGS12 O14924 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 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
SCHEMBL4386045 0.88 ALDH1A1 (0.60) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL14218007 0.80 ALDH1A1 (0.52) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL4376244 0.77 NPC1 (0.59) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL4379170 0.77 MAPK1 (0.52) ALDH1A1MAPTHPGDSMN1; SMN2RGS12
SCHEMBL4378283 0.77 ALDH1A1 (0.52) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL4378626 0.77 ALDH1A1 (0.50) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL4375723 0.76 TSHR (0.52) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL4377583 0.75 MAPT (0.77) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL2852216 0.75 ALDH1A1 (0.49) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL4378297 0.71 LMNA (0.61) ALDH1A1MAPTHPGDPOLBSMN1; SMN2

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 11 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-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
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO 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 1441/4885HPGD 646/4885

“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.