SCHEMBL2096543

SCHEMBL2096543

C1CC(NCC2CCNCC2)C[N]1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 4/20 0.37
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
ALOX15 P16050 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1B Q8NB78 1/20 0.33
TSHR P16473 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
PIM1 P11309 1/20 0.32
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL2093735 0.86
SCHEMBL5949532 0.81 CHRM2 (0.37) EPHX1
SCHEMBL5868679 0.81 GNAI3 (0.38) KDM1AMAOBMAOAGNAI3GNAO1
SCHEMBL19366459 0.78 KDM1A (0.44) KDM1AMAOBMAOAGNAI3GNAO1
SCHEMBL5868698 0.78 KDM1A (0.44) KDM1AMAOBMAOAGNAI3GNAO1
SCHEMBL4227532 0.73 IRAK4 (0.33)
SCHEMBL1009313 0.73 GNAI3 (0.44) KDM1AMAOBMAOAGNAI3GNAO1
SCHEMBL13838034 0.72 RAD52 (0.47) KDM1AMAOBMAOAGNAI3GNAO1
SCHEMBL5949479 0.72 EPHX1 (0.38) EPHX1
Hydrochloric Acid SCHEMBL4796821 0.71 GNAI3 (0.47) KDM1AMAOBMAOAGNAI3GNAO1

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
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 KDM1A 2856/4885MAOB 469/4885MAOA 684/4885

“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.