SCHEMBL4923494

SCHEMBL4923494

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
F10 P00742 1/20 0.45
F7 P08709 1/20 0.45
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.41
CCR4 P51679 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
NAMPT P43490 4/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4923500 1.00 NPSR1 (0.48) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL14025001 0.92 NPSR1 (0.51) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL4925156 0.92 NPSR1 (0.51) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL4923118 0.92 NPSR1 (0.51) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL4787467 0.91 NPSR1 (0.50) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL4787475 0.91 NPSR1 (0.50) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL4918699 0.89 NPSR1 (0.48) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL4918703 0.89 NPSR1 (0.48) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL14025771 0.89 NPSR1 (0.48) NPSR1F10F7HSD17B10SMN1; SMN2
SCHEMBL14025012 0.89 NPSR1 (0.48) NPSR1F10F7HSD17B10SMN1; SMN2

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.