SCHEMBL6399377

SCHEMBL6399377

SC1CCN(Cc2cccnc2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.50
TRPV6 Q9H1D0 3/20 0.49
SIGMAR1 Q99720 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.46
SLC18A3 Q16572 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL938061 0.83 CHRNB2 (0.61) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL6398126 0.82 CHRNB2 (0.59) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL2037248 0.82 CHRNB2 (0.59) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL14197746 0.82 CHRNB2 (0.59) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL6975576 0.82 CHRNB2 (0.59) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL6399734 0.81 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL8052496 0.81 CHRNB2 (0.58) CHRNB2CHRNA4ALDH1A1MAPTHTT
SCHEMBL6399821 0.80 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL171303 0.80 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL23291216 0.79 CHRNB2 (0.56) CHRNB2CHRNA4CYP2D6ALDH1A1MAPT

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
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US 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 (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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 CHRNB2 4831/4885CHRNA4 4852/4885CYP1A2 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.