SCHEMBL4375780

SCHEMBL4375780

O=C(CSCc1cccc2ccccc12)N1CCN(C2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
CYP1A2 P05177 2/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
UBE2N P61088 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL4386687 0.99 SIGMAR1 (0.56) SIGMAR1CYP1A2ALDH1A1KDM4ETSHR
SCHEMBL2852341 0.91 CYP1A2 (0.52) SIGMAR1CYP1A2ALDH1A1KDM4EMEN1
SCHEMBL12204694 0.81 CYP1A2 (0.56) SIGMAR1CYP1A2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14218006 0.80 CYP1A2 (0.56) CYP1A2ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL14027617 0.78 KMT2A (0.51) SIGMAR1ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL4382764 0.77 RAB9A (0.57) CYP1A2ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL3766253 0.76 KMT2A (0.55) SIGMAR1ALDH1A1KDM4EMAPK1MEN1
SCHEMBL4381921 0.76 MAPT (0.58) CYP1A2ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL15931631 0.75 MEN1 (0.61) CYP1A2ALDH1A1KDM4ELMNAGAA
SCHEMBL4378942 0.74 KDM4E (0.65) CYP1A2ALDH1A1KDM4ETSHRSMN1; 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 9 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

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 SIGMAR1 237/4885CYP1A2 1124/4885ALDH1A1 1907/4885

“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.