SCHEMBL5426458

SCHEMBL5426458

N#CC1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.45
MC4R P32245 1/20 0.45
DRD4 P21917 1/20 0.44
KCNA3 P22001 1/20 0.43

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
SCHEMBL15709181 0.98 SIGMAR1 (0.55) SIGMAR1LMNAPOLBMC4RDRD4
SCHEMBL19049578 0.90 SIGMAR1 (0.44) SIGMAR1LMNAALDH1A1POLBMC4R
SCHEMBL9677809 0.83 MAPT (0.44) SIGMAR1
SCHEMBL24027125 0.83 MC4R (0.51) SIGMAR1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL19002393 0.83 SIGMAR1 (0.48) SIGMAR1MC4R
SCHEMBL8467465 0.82 DRD4 (0.49) SIGMAR1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL18997798 0.80 KMT2A (0.43) SIGMAR1ALDH1A1
SCHEMBL21315832 0.79 SIGMAR1 (0.54) SIGMAR1LMNAALDH1A1POLB
SCHEMBL122958 0.79 SIGMAR1 (0.54) SIGMAR1LMNAALDH1A1POLB
SCHEMBL2435647 0.78 DPP4 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104768941-B Novel benzylsulfonamide compounds useful as MoGAT-2 inhibitors 伊莱利利公司 2016-08-24 CN disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-6531476-B1 Block multiplication of virus within body and restore immune functions by virtue of inhibitory activity toward platelet activating factor UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2003-03-11 US disclosed
EP-1095029-B1 PIPERAZINE DERIVATIVES INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION UNIV PARIS 7 DENIS DIDEROT (FR) 2002-09-18 EP disclosed
EP-1095029-A1 PIPERAZINE DERIVATIVES INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION UNIVERSITE PARIS 7 - Denis DIDEROT (FR) 2001-05-02 EP disclosed
WO-2000001677-A1 PIPERAZINE DERIVATIVES INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2000-01-13 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-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 SIGMAR1 957/4885LMNA 2018/4885CYP1A2 1121/4885

“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.