SCHEMBL4392153

SCHEMBL4392153

CC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.54
CASR P41180 2/20 0.52
EPHX1 P07099 3/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL4394353 0.78 CASR (0.57) CCR5CASRLMNACYP3A4CYP2C19
SCHEMBL12329225 0.75 EPHX2 (0.57) CCR5EPHX1CYP3A4HPGDCYP2C19
SCHEMBL4396948 0.74 CASR (0.64) CCR5CASRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4394350 0.74 CASR (0.53) CASREPHX1LMNAHPGDPKM
SCHEMBL3482996 0.73 SMN1; SMN2 (0.46) EPHX1LMNACYP3A4CYP2C19RAB9A
SCHEMBL4396887 0.72 CASR (0.65) CASRALDH1A1
SCHEMBL29221791 0.72 TSHR (0.76) EPHX1LMNAHPGDRAB9APKM
SCHEMBL29221806 0.72 TSHR (0.76) EPHX1LMNAHPGDRAB9APKM
SCHEMBL4394346 0.71 CASR (0.67) CASRLMNACYP3A4HPGDCYP2C19
SCHEMBL4396914 0.71 CASR (0.56) CASRHPGDRAB9AKMT2AALDH1A1

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 2192/4885EPHX1 2904/4885
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 2483/4885EPHX1 3481/4885

“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.