SCHEMBL4401977

SCHEMBL4401977

C=C(CN1CCNCC1)CN(CCN(CC)c1cccc(C)c1)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
DRD4 P21917 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 3/20 0.38
GUSB P08236 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4399090 0.93 DRD4 (0.43) MAPTDRD4GUSBCHRM3ALDH1A1
SCHEMBL4397560 0.88 CASR (0.49) MAPTMEN1KMT2ACHRM3ALDH1A1
SCHEMBL4401979 0.82 DRD4 (0.41) MAPTDRD4MEN1KMT2ACHRM3
SCHEMBL4401983 0.81 CASR (0.39) DRD4MEN1KMT2APOLBCHRM3
SCHEMBL4397690 0.80 CHRM3 (0.39) MAPTMEN1KMT2AGUSBCHRM3
SCHEMBL4400538 0.80 SMN1; SMN2 (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4391981 0.79 MAPT (0.45) MAPTMEN1KMT2APOLBGUSB
SCHEMBL4394593 0.78 CASR (0.53) ALDH1A1
Hydrochloric Acid SCHEMBL4391804 0.77 CASR (0.53) ALDH1A1
SCHEMBL4393209 0.77 SMN1; SMN2 (0.46) MEN1KMT2ACHRM3ALDH1A1LMNA

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 MAPT 4227/4885DRD4 614/4885MEN1 3080/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 MAPT 3398/4885DRD4 397/4885MEN1 2571/4885

“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.