SCHEMBL3461

SCHEMBL3461

CN(C)CCC(O)c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR1A P08908 3/20 0.42
HTR2A P28223 2/20 0.40
HRH1 P35367 2/20 0.40
ALOX5 P09917 1/20 0.39
CCR2 P41597 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
RIPK1 Q13546 1/20 0.33
UTS2R Q9UKP6 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL9244730 1.00 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL28296415 0.79 HTR2A (0.40) CHRNB2CHRNB4CHRNA3CHRNA4HTR2A
SCHEMBL3185620 0.77 HTR1A (0.49) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL23072425 0.77 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL1134192 0.76 CA2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL27927044 0.76 HTR1A (0.43) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL20328822 0.76 HTR1A (0.44) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL22660797 0.76 HTR1A (0.48) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL6577366 0.76 HTR1A (0.44) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A
SCHEMBL10318359 0.76 HTR1A (0.44) CHRNB2CHRNB4CHRNA3CHRNA4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7188065-A None JP disclosed
CN-118497160-A Ketone reductase mutant and application thereof 杭州善泰生物科技有限公司 2024-08-16 CN disclosed
US-8362279-B2 Process for pure duloxetine hydrochloride MSN LABORATORIES LIMITED (IN) 2013-01-29 US disclosed
US-8362279-B2 Process for pure duloxetine hydrochloride MSN LABORATORIES LIMITED (IN) 2013-01-29 US disclosed
US-20090012315-A1 Process for Pure Duloxetine Hydrochloride MSN LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
US-20090012315-A1 Process for Pure Duloxetine Hydrochloride MSN LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
WO-2007077580-A2 IMPROVED PROCESS FOR PURE DULOXETINE HYDROCHLORIDE MSN LABORATORIES LIMITED (IN) 2007-07-12 WO disclosed
JP-H07188065-A ASYMMETRIC SYNTHESIS OF DOLOXETINE ELI LILLY & CO 1995-07-25 JP disclosed
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP 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-20090012315-A1 Process for Pure Duloxetine Hydrochloride OPRK1, OPRM1, OPRD1 CHRNB2 261/4885CHRNB4 206/4885CHRNA3 188/4885

“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.