SCHEMBL4884344

SCHEMBL4884344

CC(=O)OCCC(c1ccccc1)c1cc(C)ccc1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
HRH1 P35367 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
ESR1 P03372 2/20 0.42
PTGS1 P23219 2/20 0.42
CHRM4 P08173 1/20 0.42
KCNE1 P15382 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL4883224 0.85 ALDH1A1 (0.44) CHRM2CHRM1ALDH1A1NPC1RAB9A
SCHEMBL4878548 0.83 CHRM2 (0.43) CHRM2CHRM1ALDH1A1NPC1RAB9A
SCHEMBL574530 0.81 CHRM2 (0.67) CHRM2CHRM1ALDH1A1NPC1RAB9A
SCHEMBL4879639 0.81 CHRM2 (0.67) CHRM2CHRM1ALDH1A1NPC1RAB9A
SCHEMBL4662576 0.80 CHRM2 (0.42) CHRM2CHRM1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL4771342 0.80 CHRM2 (0.66) CHRM2CHRM1ALDH1A1NPC1RAB9A
SCHEMBL3980676 0.80 MTNR1A (0.53) CHRM2CHRM1ALDH1A1CHRM3LMNA
Iodide SCHEMBL4661193 0.79 CHRM2 (0.41) CHRM2CHRM1ALDH1A1NPC1RAB9A
SCHEMBL13175653 0.76 CHRM2 (0.77) CHRM2CHRM1ALDH1A1CHRM5CHRM3
SCHEMBL14709412 0.76 CHRM2 (0.77) CHRM2CHRM1ALDH1A1CHRM5CHRM3

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
EP-1838659-B1 PROCESS FOR PREPARATION OF N,N-DIISOPROPYL-3-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROPYLAMINE LEK PHARMACEUTICALS (SI) 2015-07-15 EP disclosed
US-20080045602-A1 Process for Preparation of 3-(2-Hydroxy-5Methylphenyl)-N, N-Disopropyl-3-Phenylpropylamine LEK PHARMACEUTICALS, D.D. (SI) 2008-02-21 US disclosed
EP-1838659-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK Pharmaceuticals D.D. (SI) 2007-10-03 EP disclosed
WO-2006066931-A1 PROCESS FOR PREPARATION OF 3-(2-HYDROXY-5-METHYLPHENYL)-N,N-DIISOPROPYL-3­PHENYLPROPYLAMINE LEK PHARMACEUTICALS D.D. (SI) 2006-06-29 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-20080045602-A1 Process for Preparation of 3-(2-Hydroxy-5Methylphenyl)-N, N-Disopropyl-3-Phenylpropylamine SLC6A3, PNMT, PIR CHRM2 1306/4885CHRM1 1501/4885ALDH1A1 1210/4885

“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.