SCHEMBL6399343

SCHEMBL6399343

SC1CCN(CCCc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.61
LTA4H P09960 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
CCR3 P51677 1/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOA P21397 1/20 0.54
OPRM1 P35372 1/20 0.54
HTR2A P28223 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL6403439 0.90 ACHE (0.60) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL18922663 0.81 SIGMAR1 (0.61) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL6399821 0.80 CYP1A2 (0.81) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL171303 0.80 CYP1A2 (0.81) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9030685 0.80 ACHE (0.69) SIGMAR1CYP1A2CYP3A4CYP2D6CCR3
SCHEMBL2181082 0.78 SIGMAR1 (0.57) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10522891 0.78 SIGMAR1 (0.72) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL5416627 0.77 CYP1A2 (0.50) SIGMAR1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL1587336 0.77 SIGMAR1 (0.70) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7983946 0.77 SIGMAR1 (0.70) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP 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 (2 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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 SIGMAR1 1365/4885LTA4H 722/4885CYP1A2 499/4885
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 SIGMAR1 235/4885LTA4H 840/4885CYP1A2 3030/4885

“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.