SCHEMBL5896953

SCHEMBL5896953

[CH2]NCCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.50
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
RAD52 P43351 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
KDM1A O60341 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL2979110 0.86 HSD17B10 (0.53) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL15065607 0.82 CXCR4 (0.54) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL1487939 0.79 HRH3 (0.52) SMN1; SMN2HRH3L3MBTL1CYP1A2
SCHEMBL3419389 0.79
SCHEMBL180591 0.78 CXCR4 (0.53) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL928301 0.78 CXCR4 (0.50) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL8614873 0.78 CXCR4 (0.70) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL993010 0.78 CXCR4 (0.73) CXCR4HSD17B10SIGMAR1RAD52POLB
SCHEMBL2182285 0.77 HRH3 (0.56) SMN1; SMN2HRH3L3MBTL1CYP1A2
SCHEMBL11726023 0.76 CXCR4 (0.74) CXCR4HSD17B10SIGMAR1RAD52POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 US claimed
US-20030105142-A1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB 2003-06-05 US claimed
US-6432949-B1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2002-08-13 US claimed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO claimed
US-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 US disclosed
US-20030105142-A1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB 2003-06-05 US disclosed
US-6432949-B1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2002-08-13 US disclosed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO 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-20030105142-A1 Amide derivatives useful as inhibitors of the production of cytokines IL6, IL6ST, IL2 CXCR4 264/4885HSD17B10 525/4885SIGMAR1 1446/4885

“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.