SCHEMBL5369857

SCHEMBL5369857

CCN(CC)CC(O)COc1ccc(-c2noc3cc(F)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HTR2A P28223 3/20 0.42
DRD2 P14416 2/20 0.42
HTR1A P08908 1/20 0.42
PTPN1 P18031 1/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
AOC3 Q16853 2/20 0.37
LSS P48449 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL5369845 1.00 MAPT (0.44) MAPTHTR2ADRD2HTR1APTPN1
SCHEMBL5364487 0.83 KMT2A (0.47) MAPTHTR2ADRD2HTR1AMAPK1
SCHEMBL5364479 0.83 KMT2A (0.47) MAPTHTR2ADRD2HTR1AMAPK1
SCHEMBL5365549 0.83 KMT2A (0.47) MAPTHTR2ADRD2HTR1AMAPK1
SCHEMBL5371314 0.81 MAPK1 (0.46) MAPTHTR2ADRD2HTR1AMAPK1
SCHEMBL5364745 0.81 MAPK1 (0.46) MAPTHTR2ADRD2HTR1AMAPK1
SCHEMBL5364735 0.81 MAPK1 (0.46) MAPTHTR2ADRD2HTR1AMAPK1
SCHEMBL5368135 0.79 KDM4E (0.57) MAPTHTR2ADRD2HTR1AKDM4E
SCHEMBL5368145 0.79 KDM4E (0.57) MAPTHTR2ADRD2HTR1AKDM4E
SCHEMBL5362559 0.78 NPC1 (0.57) HTR2ADRD2HTR1A

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 6 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-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

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 MAPT 347/4885HTR2A 30/4885DRD2 2/4885

“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.