SCHEMBL5237341

SCHEMBL5237341

NCCCCn1ccc2ccc(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.55
HTR2A P28223 3/20 0.55
P2RX7 Q99572 2/20 0.53
HTR7 P34969 1/20 0.50
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
HTR1A P08908 3/20 0.42
HASPIN Q8TF76 1/20 0.41
SLC6A4 P31645 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL5235415 0.95 HTR2C (0.56) HTR2CHTR2AP2RX7HTR7CDK4
SCHEMBL28651148 0.88 HTR2C (0.59) HTR2CHTR2AP2RX7HTR7CDK4
SCHEMBL5991839 0.86 HTR2C (0.54) HTR2CHTR2AP2RX7CDK4CCND1
SCHEMBL9994959 0.84 P2RX7 (0.53) HTR2CHTR2AP2RX7HTR7CDK4
SCHEMBL14155057 0.84 HTR2C (0.55) HTR2CHTR2AP2RX7HTR7CDK4
SCHEMBL5792293 0.84 P2RX7 (0.53) HTR2CHTR2AP2RX7HTR7CDK4
SCHEMBL696591 0.83 P2RX7 (0.52) HTR2CHTR2AP2RX7HTR7CDK4
SCHEMBL8434667 0.82 HTR2C (0.56) HTR2CHTR2AP2RX7HTR7CDK4
SCHEMBL5635097 0.82 HTR2C (0.53) HTR2CHTR2AP2RX7HTR7CDK4
SCHEMBL25310301 0.78 HTR2C (0.55) HTR2CHTR2AP2RX7HTR7CDK4

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 HTR2C 4/4885HTR2A 23/4885P2RX7 3533/4885

“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.