SCHEMBL6800629

SCHEMBL6800629

ClCC=CCN1CCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 5/20 0.36
LTA4H P09960 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL28552521 1.00 TDP1 (0.40) TDP1HRH3LTA4HCHRNB2CHRNB4
SCHEMBL10748748 0.87 HRH3 (0.43) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL23872301 0.87 HRH3 (0.43) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL7227482 0.87 HRH3 (0.43) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL23872300 0.84 LTA4H (0.42) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL15019591 0.78 LTA4H (0.34) HRH3LTA4HCARM1PRMT6PRMT8
SCHEMBL7710800 0.77 HRH3 (0.37) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL7707987 0.77 HRH3 (0.37) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL3801630 0.77 HRH3 (0.37) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL27553974 0.77 HRH3 (0.37) HRH3LTA4HCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482944-B2 BY DIRECT REACTION OF AN AMINE WITH AN ALPHA, GAMMA-DIHALOALKANE OR AN ALPHA, GAMMA-DIHALOALKENE; TERTIARY AMINOALKYLORGANOMETALLICS CAN BE MADE BY THEN REACTING THE TERT HALOALKYLAMINES WITH AN ALKALI METALS FMC CORPORATION 2002-11-19 US claimed
US-20010023305-A1 Processes for preparing haloamines and tertiary aminoalkylorganometallic compounds FMC CORPORATION 2001-09-20 US claimed
US-6717014-B1 REACTING AMINES WITH ALPHA-, OMEGA - DIHALOALKANES OR ALKENES; LOW COST; SAFE FMC CORPORATION 2004-04-06 US disclosed
US-6482944-B2 BY DIRECT REACTION OF AN AMINE WITH AN ALPHA, GAMMA-DIHALOALKANE OR AN ALPHA, GAMMA-DIHALOALKENE; TERTIARY AMINOALKYLORGANOMETALLICS CAN BE MADE BY THEN REACTING THE TERT HALOALKYLAMINES WITH AN ALKALI METALS FMC CORPORATION 2002-11-19 US disclosed
US-20010023305-A1 Processes for preparing haloamines and tertiary aminoalkylorganometallic compounds FMC CORPORATION 2001-09-20 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-20010023305-A1 Processes for preparing haloamines and tertiary aminoalkylorganometallic compounds HDHD5, DDC, DDT TDP1 2287/4885HRH3 20/4885LTA4H 315/4885

“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.