SCHEMBL6807261

SCHEMBL6807261

O=C(c1ccccc1)N1C(Cl)CNCC1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.56
CHRNB4 P30926 3/20 0.56
CHRNA3 P32297 3/20 0.56
CHRNA7 P36544 3/20 0.56
CHRNA4 P43681 3/20 0.56
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ACHE P22303 1/20 0.41
HTT P42858 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
P2RX4 Q99571 1/20 0.40

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
SCHEMBL7652729 0.79 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7652721 0.79 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14172576 0.79 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL27153138 0.77 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6673838 0.77 SIGMAR1 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12256049 0.72 TSHR (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17953045 0.71 CHRNA4 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2031616 0.71 CHRNA4 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL699162 0.70 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7094723 0.69 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM CHRNB2 4577/4885CHRNB4 4786/4885CHRNA3 4733/4885

“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.