SCHEMBL4391981

SCHEMBL4391981

C=C(CN1CCNCC1)CN(CCN(CC)c1cccc(C)c1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CXCR4 P61073 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRM3 P20309 2/20 0.37
TP53 P04637 3/20 0.36
HTT P42858 1/20 0.36
GFER P55789 3/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL4397690 0.84 CHRM3 (0.39) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL4401054 0.84 HTT (0.40) ALDH1A1CHRM3TP53HTTPOLB
SCHEMBL4391982 0.82 CXCR4 (0.44) MAPTCXCR4ALDH1A1SMN1; SMN2CHRM3
SCHEMBL4391985 0.82 CXCR4 (0.37) MAPTCXCR4ALDH1A1SMN1; SMN2CHRM3
SCHEMBL4401977 0.79 MAPT (0.41) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL4399090 0.79 DRD4 (0.43) MAPTALDH1A1SMN1; SMN2KDM4ECHRM3
SCHEMBL4397560 0.78 CASR (0.49) MAPTALDH1A1SMN1; SMN2LMNACHRM3
Hydrochloric Acid SCHEMBL4399450 0.77 CASR (0.44) CYP1A2CYP2D6CYP2C19TP53MEN1
SCHEMBL4400761 0.76 KMT2A (0.44) CXCR4ALDH1A1SMN1; SMN2LMNACHRM3
SCHEMBL4396219 0.76 CHRM3 (0.49) CXCR4CHRM3

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 4227/4885NPSR1 363/4885CYP1A2 129/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 MAPT 3398/4885NPSR1 266/4885CYP1A2 327/4885

“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.