SCHEMBL4394376

SCHEMBL4394376

C=C(CN1CCNCC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.51
LMNA P02545 4/20 0.49
CASR P41180 3/20 0.47
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4394593 0.88 CASR (0.53) CASRALDH1A1GAA
Hydrochloric Acid SCHEMBL4391804 0.87 CASR (0.53) CASRALDH1A1GAA
SCHEMBL7087375 0.86 CASR (0.47) CCR5LMNACASRCHRM3ALDH1A1
Hydrochloric Acid SCHEMBL4403194 0.84 CASR (0.50) CASRALDH1A1GAAMEN1KMT2A
SCHEMBL4389926 0.84 CHRM3 (0.44) CCR5LMNACASRCHRM3
SCHEMBL4393805 0.82 CASR (0.62) CASR
SCHEMBL4399312 0.82 CASR (0.42) CCR5LMNACASRGAAMEN1
SCHEMBL4401960 0.82 ALDH1A1 (0.47) CHRM3ALDH1A1POLBGAASMN1; SMN2
Hydrochloric Acid SCHEMBL4400765 0.82 CASR (0.61) CASR
SCHEMBL13672945 0.81 CHRM3 (0.40) CCR5LMNACHRM3ALDH1A1SMN1; 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-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-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 433/4885LMNA 4639/4885CASR 2192/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CCR5 858/4885LMNA 4277/4885CASR 2483/4885

“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.