SCHEMBL5369926

SCHEMBL5369926

O[C@H](COc1ccc(-c2noc3cc(F)ccc23)cc1)CN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
HTR2A P28223 2/20 0.56
DRD2 P14416 3/20 0.54
HTR1A P08908 1/20 0.54
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
ABCB1 P08183 2/20 0.48

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
SCHEMBL5368944 1.00 DRD4 (0.60) DRD4MEN1KMT2AATMHTR2A
SCHEMBL5368949 1.00 DRD4 (0.60) DRD4MEN1KMT2AATMHTR2A
SCHEMBL5366699 0.92 DRD4 (0.58) DRD4MEN1KMT2AATMHTR2A
SCHEMBL5366703 0.92 DRD4 (0.58) DRD4MEN1KMT2AATMHTR2A
SCHEMBL5359826 0.88 HTR2A (0.59) HTR2ADRD2HTR1ATSHR
SCHEMBL5364879 0.88 HTR2A (0.59) HTR2ADRD2HTR1ATSHR
SCHEMBL5359817 0.88 HTR2A (0.59) HTR2ADRD2HTR1ATSHR
SCHEMBL7012797 0.85 HTR2A (0.58) HTR2ADRD2HTR1ATSHR
SCHEMBL5368366 0.85 HTR2A (0.72) HTR2ADRD2HTR1A
SCHEMBL5368959 0.85 DRD2 (0.57) DRD4MEN1KMT2AHTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US claimed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US claimed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP claimed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP disclosed
EP-1216244-A1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP disclosed
WO-2001019821-A1 BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2001-03-22 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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 DRD4 1/4885MEN1 4880/4885KMT2A 2351/4885

“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.