SCHEMBL4856463

SCHEMBL4856463

CN(C)CCOc1ccc(Br)cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.57
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR7 P34969 1/20 0.49
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.43
ERN1 O75460 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 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
SCHEMBL12990370 0.85 PTGDR2 (0.55) PTGDR2KDM4EALDH1A1LMNATDP1
SCHEMBL4846536 0.83 CYP1A2 (0.53) KDM4EALDH1A1TDP1ADRB2ADRB1
SCHEMBL5699880 0.82 HPGD (0.65) PTGDR2KDM4EALDH1A1LMNATDP1
SCHEMBL30304109 0.81 ALDH1A1 (0.49) KDM4EALDH1A1ADRB2ADRB1HTR7
SCHEMBL29189194 0.81 ALDH1A1 (0.49) KDM4EALDH1A1ADRB2ADRB1HTR7
SCHEMBL30304134 0.81 KDM4E (0.56) KDM4EALDH1A1LMNAADRB2ADRB1
SCHEMBL29189171 0.81 KDM4E (0.56) KDM4EALDH1A1LMNAADRB2ADRB1
SCHEMBL12293415 0.81 PTGDR2 (0.60) PTGDR2KDM4EALDH1A1LMNATDP1
SCHEMBL29888853 0.81 PTGDR2 (0.60) PTGDR2KDM4EALDH1A1LMNATDP1
SCHEMBL4960450 0.81 PTGDR2 (0.60) PTGDR2KDM4EALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 US disclosed
US-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 US disclosed
EP-1682486-A1 QUATERNARY AMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2006-07-26 EP disclosed
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US disclosed
WO-2005042467-A1 QUATERNARY AMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2005-05-12 WO disclosed
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP disclosed
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO 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 PTGDR2 3001/4885KDM4E 747/4885ALDH1A1 4517/4885

“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.