SCHEMBL4380926

SCHEMBL4380926

O=C(CSc1ccc2ccccc2c1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
MAPT P10636 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.60
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.55
TSHR P16473 3/20 0.55
USP2 O75604 1/20 0.55
UBE2N P61088 1/20 0.55
ALDH1A1 P00352 4/20 0.53
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.46
HRH3 Q9Y5N1 2/20 0.45
HPGD P15428 2/20 0.45
KCNH2 Q12809 1/20 0.45
ANPEP P15144 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RAB9A P51151 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
SCHEMBL4378474 0.99 KDM4E (0.61) KDM4EMAPTL3MBTL1GAAATM
SCHEMBL2836574 0.89 L3MBTL1 (0.58) KDM4EMAPTL3MBTL1GAAATM
SCHEMBL4377232 0.81 ALDH1A1 (0.54) KDM4EL3MBTL1GAASMN1; SMN2TSHR
SCHEMBL4377416 0.80 PKM (0.55) KDM4EL3MBTL1GAASMN1; SMN2TSHR
SCHEMBL4381637 0.79 SMN1; SMN2 (0.73) KDM4EMAPTGAASMN1; SMN2USP2
SCHEMBL14218059 0.78 KMT2A (0.67) KDM4EMAPTL3MBTL1GAAATM
SCHEMBL4384365 0.77 SMN1; SMN2 (0.74) KDM4EMAPTGAATDP1SMN1; SMN2
SCHEMBL4375723 0.75 TSHR (0.52) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL4377257 0.75 RAB9A (0.75) KDM4EMAPTL3MBTL1GAAATM
SCHEMBL4377583 0.74 MAPT (0.77) KDM4EMAPTL3MBTL1GAAATM

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 6 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-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

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 1567/4885MAPT 1441/4885L3MBTL1 4039/4885

“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.