SCHEMBL5239371

SCHEMBL5239371

Cn1cc(CCCCN)c2cc(F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.52
HTR1D P28221 1/20 0.52
MPO P05164 4/20 0.50
HTR2A P28223 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
ICMT O60725 2/20 0.41
HASPIN Q8TF76 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
SCHEMBL5241306 0.95 ADRB2 (0.54) ADRB2HTR1DMPOHTR2AKDM4E
SCHEMBL5923660 0.89 ADRB2 (0.64) ADRB2HTR1DMPOHTR2AKDM4E
Hydrochloric Acid SCHEMBL16592500 0.88 ADRB2 (0.62) ADRB2HTR1DMPOHTR2AKDM4E
SCHEMBL7734107 0.85 ICMT (0.50) ADRB2HTR1DMPOHTR2AKDM4E
Cadaverine Tartrate SCHEMBL3703327 0.84 LMNA (0.45) ADRB2HTR1DMPOHTR2AKDM4E
SCHEMBL7734844 0.84 KDM4E (0.51) ADRB2HTR1DHTR2AKDM4EALDH1A1
SCHEMBL7723955 0.84 KDM4E (0.48) ADRB2HTR1DHTR2AKDM4EALDH1A1
SCHEMBL21614279 0.80 KDM4E (0.50) ADRB2HTR1DHTR2AKDM4EALDH1A1
SCHEMBL3705622 0.79 ICMT (0.55) MPOHTR6ICMT
SCHEMBL7828706 0.79 LMNA (0.56) MPOKDM4EALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101143867-A Antidepressant indolealkyl derivatves of heterocyclefused benzodioxan methylamines WYETH CORP (US) 2008-03-19 CN disclosed
CN-100358898-C Antidepressant indolealkyl derivatives of heterocycle-fused benzodi * alkylmethylamines WYETH CORP (US) 2008-01-02 CN disclosed
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 EP disclosed
CN-1701075-A Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH CORP (US) 2005-11-23 CN disclosed
EP-1537122-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES Wyeth (US) 2005-06-08 EP disclosed
US-6800637-B2 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-10-05 US disclosed
US-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines WYETH 2004-07-15 US disclosed
WO-2004024734-A1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2004-03-25 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-20040138222-A1 Antidepressant indolealkyl derivatives of heterocycle-fused benzodioxan methylamines HTR5A, TPH1, DBH ADRB2 126/4885HTR1D 15/4885MPO 1008/4885

“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.