Sugi Predict

Sugi Predict / Compounds / SCHEMBL4397690

SCHEMBL4397690

SCHEMBL4397690

C=C(CN1CCNCC1)CN(CCN(CC)c1cccc(C)c1)C(=O)NCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 2/20 0.39
▸ MAPT P10636 7/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GFER P55789 3/20 0.39
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GUSB P08236 1/20 0.37
▸ USP2 O75604 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL4397693 0.85 KDM4E (0.40) CHRM3LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL4391981 0.84 MAPT (0.45) CHRM3MAPTTP53CYP1A2CYP3A4
SCHEMBL4397695 0.82 CHRM3 (0.37) CHRM3LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL4401977 0.80 MAPT (0.41) CHRM3MAPTGFERLMNAALDH1A1
SCHEMBL4399090 0.80 DRD4 (0.43) CHRM3MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4397560 0.79 CASR (0.49) CHRM3MAPTLMNAALDH1A1TSHR
SCHEMBL4399312 0.78 CASR (0.42) GFERLMNAGAAMEN1KMT2A
SCHEMBL4401960 0.77 ALDH1A1 (0.47) CHRM3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4398678 0.77 CHRM3 (0.44) CHRM3
SCHEMBL4397200 0.76 SIGMAR1 (0.39) GFERLMNAALDH1A1NPSR1GAA

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 CHRM3 79/4885MAPT 4227/4885TP53 4805/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CHRM3 182/4885MAPT 3398/4885TP53 4464/4885

“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.