SCHEMBL4922803

SCHEMBL4922803

C[C@H](NC(=O)N(CCCN1CCOCC1)Cc1ccc(C(=O)O)cc1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
F10 P00742 2/20 0.51
F7 P08709 2/20 0.51
NAMPT P43490 4/20 0.47
TSHR P16473 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASR P41180 4/20 0.43
EPHX2 P34913 2/20 0.43
F2 P00734 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL4922817 1.00 NPSR1 (0.52) NPSR1F10F7NAMPTTSHR
SCHEMBL14067958 0.92 NPSR1 (0.53) NPSR1F10F7NAMPTTSHR
SCHEMBL4924392 0.92 NPSR1 (0.53) NPSR1F10F7NAMPTTSHR
SCHEMBL4924403 0.92 NPSR1 (0.53) NPSR1F10F7NAMPTTSHR
SCHEMBL14025001 0.92 NPSR1 (0.51) NPSR1F10F7NAMPTTSHR
SCHEMBL4918662 0.92 F10 (0.51) NPSR1F10F7NAMPTTSHR
SCHEMBL4787003 0.92 NPSR1 (0.51) NPSR1F10F7NAMPTTSHR
SCHEMBL4918669 0.92 F10 (0.51) NPSR1F10F7NAMPTTSHR
SCHEMBL4925156 0.92 NPSR1 (0.51) NPSR1F10F7NAMPTTSHR
SCHEMBL4923118 0.92 NPSR1 (0.51) NPSR1F10F7NAMPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A NPSR1 4497/4885F10 3356/4885F7 3229/4885

“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.