SCHEMBL6280980

SCHEMBL6280980

[O-][NH+]1CC[N+]([O-])(Cc2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP2D6 P10635 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CALM1 P0DP23 1/20 0.31
IDO1 P14902 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL1831948 0.79 HIF1A (0.41) HIF1ACHRNB4CHRNA3CYP2D6CHRNB2
SCHEMBL11846749 0.79 HIF1A (0.41) HIF1ACHRNB4CHRNA3CYP2D6CHRNB2
SCHEMBL596253 0.78 HIF1A (0.39) HIF1ACHRNB4CHRNA3CYP2D6CHRNB2
SCHEMBL1702299 0.74 HIF1A (0.37) HIF1ACYP2D6CALM1
SCHEMBL6926932 0.74 SIGMAR1 (0.46) HIF1ACYP2D6
Hydrochloric Acid SCHEMBL10944858 0.73 SIGMAR1 (0.44) HIF1A
SCHEMBL8914673 0.72 MEN1 (0.41) HIF1ACHRNB2CHRNA4
SCHEMBL10841967 0.70 SIGMAR1 (0.59)
Hydrochloric Acid SCHEMBL10843617 0.69 SIGMAR1 (0.57)
SCHEMBL7248999 0.68 HIF1A (0.38) HIF1ACYP2D6CHRNB2CHRNA4CALM1

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
WO-2005113573-A2 METHOD OF SUPPORT-BASED CHEMICAL SYNTHESIS MIXTURE SCIENCES, INC. (US) 2005-12-01 WO disclosed
US-20050261474-A1 Method of support-based chemical synthesis MIXTURE SCIENCES, INC. 2005-11-24 US disclosed
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof NEFZI ADEL (US) 2005-05-26 US disclosed
US-6809202-B2 SYNTHETIC PEPTIDES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2004-10-26 US disclosed
US-20030120066-A1 Synthetic peptides NEFZI ADEL (US) 2003-06-26 US disclosed
US-6441172-B1 DI- AND TRI-SUBSTITUTED-1,4-DIAZACYCLIC COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2002-08-27 US disclosed
US-4139621-A TRANQUILIZERS BEECHAM GROUP LIMITED (GB) 1979-02-13 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 (3 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-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof DHPS, DCK, DAZAP1 HIF1A 3111/4885CHRNB4 3425/4885CHRNA3 3008/4885
US-20050261474-A1 Method of support-based chemical synthesis CYP2F1, CYP4F3, CYP4F2 HIF1A 2015/4885CHRNB4 4582/4885CHRNA3 4846/4885
US-20030120066-A1 Synthetic peptides VIP, NGLY1, GRPR HIF1A 4139/4885CHRNB4 3579/4885CHRNA3 4291/4885

“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.