SCHEMBL5900534

SCHEMBL5900534

C[N]CCCN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.50
SIGMAR1 Q99720 3/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
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
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37
KDM1A O60341 1/20 0.37
SOD3 P08294 1/20 0.36

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
SCHEMBL3586394 0.86 POLB (0.45) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
SCHEMBL1850745 0.79 HRH3 (0.52) SMN1; SMN2CYP1A2
SCHEMBL18034154 0.78 CXCR4 (0.55) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
SCHEMBL993010 0.78 CXCR4 (0.73) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
SCHEMBL8614873 0.78 CXCR4 (0.70) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
SCHEMBL6645511 0.77 CXCR4 (0.57) CXCR4SIGMAR1POLBSMN1; SMN2GNAI3
SCHEMBL8187485 0.77 CXCR4 (0.59) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
SCHEMBL6637687 0.77 HRH3 (0.56) SMN1; SMN2CYP1A2
SCHEMBL1841507 0.76 CXCR4 (0.74) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL5570648 0.76 CXCR4 (0.67) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use BOLD GUIDO 2006-06-15 US claimed
EP-1572686-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2005-09-14 EP claimed
WO-2004052884-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2004-06-24 WO claimed
US-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use BOLD GUIDO 2006-06-15 US disclosed
EP-1572686-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2005-09-14 EP disclosed
WO-2004052884-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2004-06-24 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-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use AADAC, AADAT, NAAA CXCR4 3521/4885SIGMAR1 3792/4885POLB 3439/4885

“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.