SCHEMBL4883224

SCHEMBL4883224

CC(=O)Oc1ccc(C)cc1C(CCI)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
HRH1 P35367 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
ESR1 P03372 2/20 0.43
PTGS1 P23219 2/20 0.43
CHRM4 P08173 1/20 0.43
KCNE1 P15382 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL4884377 0.88 CHRM2 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL4884344 0.85 CHRM2 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL4879639 0.82 CHRM2 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL574530 0.82 CHRM2 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL4883077 0.82 CHRM2 (0.41) ALDH1A1NPC1CHRM2CHRM1CHRM5
Hydrochloric Acid SCHEMBL4771342 0.81 CHRM2 (0.66) ALDH1A1NPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL4662576 0.81 CHRM2 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL4874634 0.81 CHRM2 (0.41) ALDH1A1NPC1CHRM2CHRM1CHRM5
Iodide SCHEMBL4661193 0.80 CHRM2 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL4875764 0.80 CHRM2 (0.38) ALDH1A1CHRM2CHRM1CHRM5CHRM3

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 ALDH1A1 1210/4885NPC1 1286/4885RAB9A 3868/4885

“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.