SCHEMBL4400818

SCHEMBL4400818

CC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.61
RAB9A P51151 6/20 0.57
LMNA P02545 1/20 0.52
MAPT P10636 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47

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
SCHEMBL926568 0.81 CASR (0.72) CASR
SCHEMBL4396948 0.80 CASR (0.64) CASRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4400563 0.79 CASR (0.69) CASRRAB9ALMNAMAPTHPGD
SCHEMBL4399207 0.78 CASR (0.82) CASRRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4396887 0.78 CASR (0.65) CASRALDH1A1
SCHEMBL925995 0.77 CASR (0.73) CASR
SCHEMBL4394346 0.77 CASR (0.67) CASRRAB9ALMNAMAPTCYP1A2
SCHEMBL3638348 0.77 CASR (0.76) CASRRAB9ALMNAMAPTNPC1
SCHEMBL4397686 0.76 CASR (0.60) CASRRAB9ALMNACYP1A2CYP2C9
SCHEMBL4390118 0.76 CASR (1.00) CASRRAB9AHPGDALDH1A1

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 CASR 2192/4885RAB9A 3571/4885LMNA 4639/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885RAB9A 2740/4885LMNA 4277/4885

“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.