SCHEMBL4992437

SCHEMBL4992437

O[C@H](c1ccccc1)[C@@H]1CO1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
GBA1 P04062 1/20 0.42
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4992450 1.00 EPHX1 (0.48) EPHX1GBA1CHRM2CHRM4CHRM5
SCHEMBL5001664 1.00 EPHX1 (0.48) EPHX1GBA1CHRM2CHRM4CHRM5
SCHEMBL2411371 1.00 EPHX1 (0.48) EPHX1GBA1CHRM2CHRM4CHRM5
SCHEMBL5668164 1.00 EPHX1 (0.48) EPHX1GBA1CHRM2CHRM4CHRM5
SCHEMBL5001663 1.00 EPHX1 (0.48) EPHX1GBA1CHRM2CHRM4CHRM5
SCHEMBL5001662 1.00 EPHX1 (0.48) EPHX1GBA1CHRM2CHRM4CHRM5
SCHEMBL4992445 1.00 EPHX1 (0.48) EPHX1GBA1CHRM2CHRM4CHRM5
SCHEMBL3143563 0.88 EPHX1 (0.50) EPHX1
SCHEMBL28337643 0.78 EPHX1 (0.43) EPHX1
SCHEMBL29087977 0.78 SLC6A3 (0.39)

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-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2006-08-03 US disclosed
EP-1587781-A1 3-ARYLOXY/THIO-2,3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
WO-2004043903-A1 3-ARYLOXY/ THIO-2, 3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 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-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ADRB3, SLC6A3, SLC6A2 EPHX1 2276/4885GBA1 2481/4885CHRM2 36/4885

“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.