SCHEMBL5364371

SCHEMBL5364371

O[C@@H](COc1ccc(-c2noc3cc(F)ccc23)cc1)CN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
HTR2A P28223 2/20 0.55
DRD2 P14416 2/20 0.55
HTR1A P08908 1/20 0.55
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 3/20 0.49
HIF1A Q16665 1/20 0.49
ACE2 Q9BYF1 1/20 0.48
ABCB1 P08183 2/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5364377 1.00 ATM (0.55) ATMHTR2ADRD2HTR1ACYP2D6
SCHEMBL5364392 1.00 ATM (0.55) ATMHTR2ADRD2HTR1ACYP2D6
SCHEMBL5378506 0.91 PKM (0.56) HTR2ADRD2HTR1AKDM4ETSHR
SCHEMBL5370489 0.91 PKM (0.56) HTR2ADRD2HTR1AKDM4ETSHR
SCHEMBL5370501 0.91 PKM (0.56) HTR2ADRD2HTR1AKDM4ETSHR
SCHEMBL5368135 0.90 KDM4E (0.57) HTR2ADRD2HTR1AKDM4ETSHR
SCHEMBL5368145 0.90 KDM4E (0.57) HTR2ADRD2HTR1AKDM4ETSHR
SCHEMBL5370452 0.87 KDM4E (0.51) HTR2ADRD2HTR1AKDM4EABCB1
SCHEMBL5368366 0.87 HTR2A (0.72) HTR2ADRD2HTR1A
SCHEMBL5375200 0.87 HTR2A (0.61) HTR2ADRD2HTR1ATSHR

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 ATM 1529/4885HTR2A 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.