SCHEMBL4853884

SCHEMBL4853884

CN(C)CCOc1ccc(-c2ccccc2)cc1C=CC(=O)c1cccc(CN(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.53
ACHE P22303 1/20 0.46
MCHR1 Q99705 2/20 0.45
SLC6A9 P48067 4/20 0.45
TNFRSF1A P19438 2/20 0.45
HRH1 P35367 1/20 0.43
ESR1 P03372 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR52 Q9Y2T5 1/20 0.42
RELA Q04206 1/20 0.41

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
SCHEMBL14280889 1.00 BCHE (0.53) BCHEACHEMCHR1SLC6A9TNFRSF1A
SCHEMBL4846169 0.90 BCHE (0.42) BCHEACHETNFRSF1AHRH1PTPN1
SCHEMBL5915438 0.89 TNFRSF1A (0.57) BCHETNFRSF1APTPN1RELA
SCHEMBL4854964 0.89 BCHE (0.43) BCHEACHEMCHR1SLC6A9TNFRSF1A
SCHEMBL4847357 0.88 NR1H4 (0.50) BCHEACHEHRH1PTPN1KDM4E
SCHEMBL4854809 0.88 NR1H4 (0.50) BCHEACHEHRH1PTPN1KDM4E
SCHEMBL4848121 0.84 BCHE (0.55) BCHEACHEMCHR1SLC6A9TNFRSF1A
SCHEMBL4849165 0.82 BCHE (0.58) BCHEACHEMCHR1TNFRSF1AALDH1A1
SCHEMBL4853736 0.82 BCHE (0.52) BCHEACHEMCHR1SLC6A9TNFRSF1A
SCHEMBL4853880 0.82 BCHE (0.47) BCHEACHEMCHR1SLC6A9HRH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US claimed
US-7423181-B2 in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone LICA PHARMACEUTICALS A/S (DK) 2008-09-09 US disclosed
US-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 US disclosed
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 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 (1 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-20080027075-A1 Quaternary Amino-Function Chalcones NR2E1, BET1, NR0B1 BCHE 3286/4885ACHE 4322/4885MCHR1 1546/4885

“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.