SCHEMBL5367033

SCHEMBL5367033

OC(COc1ccc(-c2noc3cc(F)ccc23)cc1)CN1CCN(c2ncccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HTR2A P28223 2/20 0.51
DRD2 P14416 2/20 0.51
HTR1A P08908 1/20 0.51
CACNA1G O43497 2/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.45
ABCB1 P08183 2/20 0.44
ADRB3 P13945 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
SCHEMBL5367014 1.00 KDM4E (0.51) KDM4EHTR2ADRD2HTR1ACACNA1G
SCHEMBL5370452 1.00 KDM4E (0.51) KDM4EHTR2ADRD2HTR1ACACNA1G
SCHEMBL5370968 0.91 KDM4E (0.56) KDM4EHTR2ADRD2HTR1ACACNA1G
SCHEMBL5360269 0.91 KDM4E (0.56) KDM4EHTR2ADRD2HTR1ACACNA1G
SCHEMBL5360250 0.91 KDM4E (0.56) KDM4EHTR2ADRD2HTR1ACACNA1G
SCHEMBL1379950 0.91 MAPT (0.54) KDM4EHTR2ADRD2HTR1AMAPT
SCHEMBL5359251 0.91 MAPT (0.54) KDM4EHTR2ADRD2HTR1AMAPT
SCHEMBL1379956 0.91 MAPT (0.54) KDM4EHTR2ADRD2HTR1AMAPT
SCHEMBL5371159 0.90 MAPT (0.55) KDM4ECACNA1GMAPTMEN1KMT2A
SCHEMBL1380261 0.90 MAPT (0.55) KDM4ECACNA1GMAPTMEN1KMT2A

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 KDM4E 710/4885HTR2A 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.