SCHEMBL3540309

SCHEMBL3540309

[O-][N+]1(Cc2ccccc2)CCCC(Br)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
GBA1 P04062 1/20 0.32
HIF1A Q16665 1/20 0.32
CHRM3 P20309 4/20 0.32
CHRM2 P08172 2/20 0.32
CYP2D6 P10635 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
SCHEMBL1831948 0.80 HIF1A (0.41) MEN1KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL11846749 0.80 HIF1A (0.41) MEN1KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL596253 0.79 HIF1A (0.39) CHRNB2CHRNA4CHRNB4CHRNA3HIF1A
SCHEMBL8914673 0.76 MEN1 (0.41) MEN1KMT2ACHRNB2CHRNA4HIF1A
SCHEMBL5509200 0.74 ACHE (0.37) MEN1KMT2ACHRNB2CHRNA4CHRNB4
SCHEMBL6926932 0.68 SIGMAR1 (0.46) MEN1KMT2AGBA1HIF1ACYP2D6
SCHEMBL1702299 0.68 HIF1A (0.37) MEN1KMT2AHIF1ACYP2D6
Hydrochloric Acid SCHEMBL10944858 0.67 SIGMAR1 (0.44) MEN1KMT2AGBA1HIF1ACHRM2
SCHEMBL6280980 0.67 HIF1A (0.36) CHRNB2CHRNA4CHRNB4CHRNA3HIF1A
(Chloromethyl)Benzene SCHEMBL10945678 0.65 ALDH1A1 (0.41) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 MEN1 4157/4885KMT2A 2856/4885CHRNB2 224/4885

“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.