SCHEMBL4403137

SCHEMBL4403137

C=C(CN1CCN(C(=O)OC(C)(C)C)CC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
CASR P41180 8/20 0.46
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
NPY5R Q15761 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL4401060 0.94 CASR (0.47) LMNAALDH1A1MAPTCASRGAA
SCHEMBL4393202 0.93 CASR (0.47) LMNAALDH1A1MAPTCASRCHRM2
SCHEMBL4389884 0.91 MAPT (0.48) MAPTCASRCHRM2CHRM4CHRM1
SCHEMBL4393898 0.91 CASR (0.45) LMNAALDH1A1MAPTCASRCHRM2
SCHEMBL6698536 0.89 CASR (0.57) CASR
SCHEMBL6985526 0.89 ALDH1A1 (0.46) LMNAALDH1A1MAPTCASRGAA
SCHEMBL4562924 0.86 CASR (0.47) CASRMEN1KMT2A
SCHEMBL4393814 0.85 CASR (0.68) ALDH1A1CASRSMN1; SMN2MEN1KMT2A
SCHEMBL6989540 0.84 CASR (0.49) ALDH1A1MAPTCASRGAAMEN1
Hydrochloric Acid SCHEMBL4402106 0.83 CASR (0.50) LMNAALDH1A1MAPTCASRGAA

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 LMNA 4639/4885ALDH1A1 3828/4885MAPT 4227/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 LMNA 4277/4885ALDH1A1 3190/4885MAPT 3398/4885

“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.