SCHEMBL4942855

SCHEMBL4942855

CCCN(C)C1=CC=CC(O)(c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.35
OPRM1 P35372 9/20 0.35
OPRK1 P41145 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL28450776 0.71 CHRNB2 (0.36) OPRL1OPRM1OPRK1SLC6A2
SCHEMBL123293 0.69 MAOB (0.33) OPRL1OPRM1OPRK1SLC6A2
SCHEMBL28114366 0.67 HDAC9 (0.39)
SCHEMBL27897540 0.66 HDAC1 (0.41)
SCHEMBL10786327 0.62 NPC1 (0.43) OPRL1OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL21676 0.60 CA12 (0.45) SIGMAR1
Ammonia Solution, Strong SCHEMBL3205919 0.58 CA12 (0.44) SIGMAR1
Hydrochloric Acid SCHEMBL27301016 0.58 CA12 (0.44) SIGMAR1
SCHEMBL4089733 0.58 HDAC4 (0.36) OPRL1OPRM1OPRK1
SCHEMBL31442138 0.58 HDAC9 (0.35) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004470-A1 Synthesis of Atomoxetine Hydrochloride DR. REDDY'S LABORATORIES LIMITED (IN) 2008-01-03 US disclosed
EP-1794112-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP disclosed
WO-2006037055-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-06 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-20080004470-A1 Synthesis of Atomoxetine Hydrochloride SLC6A2, SLC6A4, SLC6A3 OPRL1 9/4885OPRM1 12/4885OPRK1 8/4885

“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.