SCHEMBL14025762

SCHEMBL14025762

CCN(CC)CCN(CCN(CC)CC)Cc1ccc(CN(CCCN2CCOCC2)C(=O)NC(C)c2cccc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
F10 P00742 1/20 0.47
F7 P08709 1/20 0.47
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
USP2 O75604 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NAMPT P43490 5/20 0.41
CCR4 P51679 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL14025021 1.00 NPSR1 (0.50) NPSR1F10F7OPRM1OPRD1
SCHEMBL14045855 0.95 NPSR1 (0.46) NPSR1F10F7OPRM1OPRD1
SCHEMBL4924392 0.90 NPSR1 (0.53) NPSR1F10F7OPRM1OPRD1
SCHEMBL4924403 0.90 NPSR1 (0.53) NPSR1F10F7OPRM1OPRD1
SCHEMBL14067958 0.90 NPSR1 (0.53) NPSR1F10F7OPRM1OPRD1
SCHEMBL4787670 0.89 NPSR1 (0.51) NPSR1F10F7OPRM1OPRD1
SCHEMBL4787665 0.89 NPSR1 (0.51) NPSR1F10F7OPRM1OPRD1
SCHEMBL4922803 0.89 NPSR1 (0.52) NPSR1F10F7OPRM1OPRD1
SCHEMBL4922817 0.89 NPSR1 (0.52) NPSR1F10F7OPRM1OPRD1
SCHEMBL14045752 0.88 NPSR1 (0.56) NPSR1F10F7USP2TSHR

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-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.