SCHEMBL4401034

SCHEMBL4401034

C=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)NCCC)CN(C(=O)NCCC)[C@@H]1CCCC[C@H]1N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.36
CASR P41180 2/20 0.35
FKBP1A P62942 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PTGES O14684 1/20 0.32

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
SCHEMBL4396578 1.00 CCR5 (0.36) CCR5CASRFKBP1AMEN1KMT2A
SCHEMBL4392968 0.90 NPC1 (0.39) CCR5MEN1KMT2A
SCHEMBL4400774 0.90 NPC1 (0.39) CCR5MEN1KMT2A
SCHEMBL4393788 0.84 CCR5 (0.47) CCR5CASR
SCHEMBL4400561 0.84 CCR5 (0.47) CCR5CASR
SCHEMBL4393251 0.82 CASR (0.40) CCR5CASR
SCHEMBL4392169 0.82 CASR (0.40) CCR5CASR
SCHEMBL4393261 0.82 CASR (0.43) CCR5CASRMEN1KMT2A
SCHEMBL4396974 0.82 CASR (0.43) CCR5CASRMEN1KMT2A
SCHEMBL4394374 0.80 CASR (0.53) CASRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 US 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 (2 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 CCR5 433/4885CASR 2192/4885FKBP1A 3373/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CCR5 858/4885CASR 2483/4885FKBP1A 2964/4885

“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.