SCHEMBL1699449

SCHEMBL1699449

CN(C)CC(c1ccc(O)cc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.50
SLC6A4 P31645 6/20 0.50
SLC6A3 Q01959 5/20 0.50
OPRM1 P35372 2/20 0.50
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MITF O75030 1/20 0.39
PKM P14618 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL21753666 0.81 ESR1 (0.50) SLC6A2SLC6A4SLC6A3OPRM1MEN1
SCHEMBL6710551 0.81 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10771729 0.81 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3OPRM1MEN1
SCHEMBL13109242 0.81 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3OPRM1MEN1
Hydrochloric Acid SCHEMBL30838758 0.80 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL27620865 0.79 PKM (0.49) SLC6A2SLC6A4SLC6A3OPRM1MEN1
SCHEMBL27980935 0.72 MEN1 (0.40) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL28137448 0.72 ESR1 (0.46) SLC6A2SLC6A4SLC6A3OPRM1KMT2A
SCHEMBL36553 0.71 ESR1 (0.44) KMT2AESR1ESR2PDCD1CD274
Cyclopropane SCHEMBL16500003 0.71 ESR1 (0.44) KMT2AESR1ESR2PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120087986-A1 PHARMACEUTICAL FORMULATIONS COMPRISING DESVENLAFAXINE DR. REDDY'S LABORATORIES, INC. 2012-04-12 US disclosed
US-20120087986-A1 PHARMACEUTICAL FORMULATIONS COMPRISING DESVENLAFAXINE DR. REDDY'S LABORATORIES, INC. 2012-04-12 US 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-20120087986-A1 PHARMACEUTICAL FORMULATIONS COMPRISING DESVENLAFAXINE SLC6A2, SLC6A4, VGF SLC6A2 1/4885SLC6A4 2/4885SLC6A3 7/4885

“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.