SCHEMBL4675159

SCHEMBL4675159

C[C@@H]1Oc2c(N3CCNCC3)cccc2N(Cc2ccccc2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.64
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 2/20 0.43
TSHR P16473 3/20 0.43
HTT P42858 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 2/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4674919 1.00 HTR6 (0.64) HTR6MEN1KMT2ADRD2TSHR
SCHEMBL4675195 1.00 HTR6 (0.64) HTR6MEN1KMT2ADRD2TSHR
SCHEMBL13672068 0.79 DRD2 (0.53) HTR6DRD2TSHRSIGMAR1HTR1A
SCHEMBL16703979 0.79 DRD2 (0.53) HTR6DRD2TSHRSIGMAR1HTR1A
SCHEMBL1136491 0.78 HTR6 (1.00) HTR6DRD2SIGMAR1HTR1AHTR2A
SCHEMBL4676859 0.77 HTR6 (0.64) HTR6DRD2SIGMAR1HTR1ADRD4
Hydrochloric Acid SCHEMBL4678621 0.77 HTR6 (0.98) HTR6DRD2SIGMAR1HTR1AHTR2A
SCHEMBL14303277 0.73 HTR6 (0.61) HTR6MEN1KMT2ADRD2TSHR
SCHEMBL5364893 0.72 HTR6 (0.65) HTR6HTR1AHTR2ASLC6A2SLC6A4
SCHEMBL5363674 0.72 HTR6 (0.59) HTR6DRD2HTR1AHTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US claimed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP claimed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO claimed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US claimed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US 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-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 HTR6 399/4885MEN1 2058/4885KMT2A 2175/4885

“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.