Sugi Predict

Sugi Predict / Compounds / SCHEMBL4391985

SCHEMBL4391985

SCHEMBL4391985

C=C(CN1CCNCC1)CN(CCNC(C)c1cccc(C)c1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.37
▸ CASR P41180 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ TMEM97 Q5BJF2 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
SCHEMBL4397695 0.85 CHRM3 (0.37) CASRALDH1A1SMN1; SMN2CHRM3CCR5
SCHEMBL4391982 0.84 CXCR4 (0.44) CXCR4ALDH1A1MAPTSMN1; SMN2CHRM3
SCHEMBL4391981 0.82 MAPT (0.45) CXCR4ALDH1A1MAPTSMN1; SMN2CHRM3
SCHEMBL4401054 0.81 HTT (0.40) ALDH1A1SIGMAR1CHRM3
Hydrochloric Acid SCHEMBL4399450 0.81 CASR (0.44) CASRSLC6A2CCR5
SCHEMBL4401983 0.80 CASR (0.39) CASRALDH1A1CHRM3
SCHEMBL4393787 0.79 CASR (0.42) CXCR4CASRSLC6A2CCR5
SCHEMBL4397565 0.79 CASR (0.54) CASRALDH1A1SMN1; SMN2
SCHEMBL4400761 0.75 KMT2A (0.44) CXCR4ALDH1A1SMN1; SMN2CHRM3
SCHEMBL4396219 0.75 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 CXCR4 273/4885CASR 2192/4885ALDH1A1 3828/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CXCR4 401/4885CASR 2483/4885ALDH1A1 3190/4885

“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.