SCHEMBL5369007

SCHEMBL5369007

CC1CCN(C[C@@H](O)COc2cccc(-c3noc4cc(F)ccc34)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.65
TSHR P16473 1/20 0.56
HTR2A P28223 4/20 0.54
DRD2 P14416 3/20 0.54
HTR1A P08908 2/20 0.54
CHRNA7 P36544 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
LMNA P02545 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL5369015 1.00 USP2 (0.65) USP2TSHRHTR2ADRD2HTR1A
SCHEMBL5366310 0.89 HTR2A (0.54) USP2HTR2ADRD2HTR1APRMT5
SCHEMBL5366298 0.89 HTR2A (0.54) USP2HTR2ADRD2HTR1APRMT5
SCHEMBL5366699 0.88 DRD4 (0.58) USP2TSHRHTR2ADRD2HTR1A
SCHEMBL5366703 0.88 DRD4 (0.58) USP2TSHRHTR2ADRD2HTR1A
SCHEMBL5360657 0.87 DRD2 (0.48) USP2TSHRHTR2ADRD2HTR1A
SCHEMBL5360652 0.87 DRD2 (0.48) USP2TSHRHTR2ADRD2HTR1A
SCHEMBL5370968 0.85 KDM4E (0.56) USP2HTR2ADRD2HTR1AMEN1
SCHEMBL5360250 0.85 KDM4E (0.56) USP2HTR2ADRD2HTR1AMEN1
SCHEMBL5360269 0.85 KDM4E (0.56) USP2HTR2ADRD2HTR1AMEN1

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 3 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

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 USP2 4154/4885TSHR 184/4885HTR2A 30/4885

“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.