SCHEMBL5787906

SCHEMBL5787906

N[C@H]1CC[C@@H](c2c[nH]c3ccc(F)cc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.64
HTR2C P28335 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A4 P31645 9/20 0.61
HTR1A P08908 4/20 0.61
DRD1 P21728 1/20 0.61
SLC6A2 P23975 1/20 0.61
HTR1B P28222 1/20 0.61
SLC6A3 Q01959 1/20 0.61
OPRM1 P35372 3/20 0.56
OPRK1 P41145 3/20 0.56
OPRL1 P41146 3/20 0.56
IDO1 P14902 1/20 0.50

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
SCHEMBL5786564 1.00 HTR2A (0.64) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL5786565 1.00 HTR2A (0.64) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL3886782 0.91 SLC6A4 (0.66) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL3886786 0.91 SLC6A4 (0.66) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL3886779 0.91 SLC6A4 (0.66) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL3888648 0.91 SLC6A4 (0.66) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL3888644 0.91 SLC6A4 (0.66) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL2781509 0.83 HTR2C (0.62) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL4676670 0.82 SLC6A4 (0.58) HTR2AHTR2CHTR2BSLC6A4HTR1A
SCHEMBL7478833 0.81 SLC6A4 (0.57) HTR2AHTR2CHTR2BSLC6A4HTR1A

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 HTR2A 45/4885HTR2C 12/4885HTR2B 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.