SCHEMBL5785336

SCHEMBL5785336

N[C@H]1CC[C@H](c2c[nH]c3ccccc23)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.61
HTR2A P28223 3/20 0.61
HTR2B P41595 3/20 0.61
SLC6A4 P31645 2/20 0.60
ADRB2 P07550 1/20 0.59
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CREBBP Q92793 1/20 0.49
ADRA1D P25100 3/20 0.47
CYP2D6 P10635 1/20 0.46

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
SCHEMBL5785331 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BSLC6A4ADRB2
SCHEMBL5788471 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BSLC6A4ADRB2
SCHEMBL5788466 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BSLC6A4ADRB2
SCHEMBL5785328 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BSLC6A4ADRB2
SCHEMBL23649321 0.91 HTR2C (0.58) HTR2CHTR2AHTR2BSLC6A4ADRB2
SCHEMBL29824695 0.91 HTR2C (0.58) HTR2CHTR2AHTR2BSLC6A4ADRB2
SCHEMBL734917 0.84 HTR2C (0.79) HTR2CHTR2AHTR2BSLC6A4ADRB2
SCHEMBL28320141 0.79 SLC6A4 (0.46) HTR2CHTR2AHTR2BSLC6A4ADRB2
SCHEMBL3888648 0.79 SLC6A4 (0.66) HTR2CHTR2AHTR2BSLC6A4HTR1D
SCHEMBL3886779 0.79 SLC6A4 (0.66) HTR2CHTR2AHTR2BSLC6A4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546151-B1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH CORP (US) 2006-04-12 EP disclosed
EP-1546151-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-29 EP disclosed
US-6911445-B2 For reatment of depression, childhood depression, dysthymia, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder, attention deficit disorder, obsessive-compulsive disorder, cocaine and alcohol addiction WYETH (US) 2005-06-28 US disclosed
US-20040171667-A1 Antidepressant cycloalkylamine derivatives of heterocycle-fused benzodioxans WYETH 2004-09-02 US disclosed
WO-2004024732-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS 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-20040171667-A1 Antidepressant cycloalkylamine derivatives of heterocycle-fused benzodioxans HTR5A, CRH, TPH1 HTR2C 12/4885HTR2A 45/4885HTR2B 21/4885

“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.