SCHEMBL1817573

SCHEMBL1817573

C=C[CH]N(C(=O)CC=C)C(=O)CC=C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL301652 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11378113 0.70
SCHEMBL14257477 0.70
SCHEMBL2224744 0.69
SCHEMBL3305715 0.67 ALDH1A1 (0.62) ALDH1A1
SCHEMBL10890583 0.65 LMNA (0.48) ALDH1A1TSHR
SCHEMBL103895 0.63
SCHEMBL11330491 0.63
SCHEMBL10528011 0.63 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL2019340 0.62 TSHR (0.38) ALDH1A1TSHR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4681295-B2 2011-05-11 JP claimed
US-7465741-B2 C-substituted tricyclic isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 US claimed
US-7462717-B2 C6-and C9-substituted chromeno[4,3-c]isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-09 US claimed
EP-1532155-B1 C6- AND C9-SUBSTITUTED CHROMENO[4,3-c]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP claimed
EP-1537124-B1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2007-08-01 EP claimed
US-20060122167-A1 C6-and c9-substituted isoxazoline derivatives and their use as anti-depressants JANSSEN-CILAG S.A. (ES) 2006-06-08 US claimed
US-20050256119-A1 C-substituted tricyclic isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-17 US claimed
EP-1537124-A1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-08 EP claimed
EP-1532155-A2 C6- AND C9-SUBSTITUTED CHROMENO[4,3-c]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-25 EP claimed
WO-2004018482-A2 C6- AND C9-SUBSTITUTED CHROMENO[4, 3-C]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-04 WO claimed
WO-2004016621-A1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-26 WO claimed
US-7465741-B2 C-substituted tricyclic isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 US disclosed
US-7462717-B2 C6-and C9-substituted chromeno[4,3-c]isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-09 US disclosed
EP-1532155-B1 C6- AND C9-SUBSTITUTED CHROMENO[4,3-c]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
EP-1537124-B1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2007-08-01 EP disclosed
US-20050256119-A1 C-substituted tricyclic isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-17 US disclosed
EP-1537124-A1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-08 EP disclosed
EP-1532155-A2 C6- AND C9-SUBSTITUTED CHROMENO[4,3-c]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-25 EP disclosed
WO-2004018482-A2 C6- AND C9-SUBSTITUTED CHROMENO[4, 3-C]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-04 WO disclosed
WO-2004016621-A1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-26 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 (2 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-20060122167-A1 C6-and c9-substituted isoxazoline derivatives and their use as anti-depressants HTR2C, HTR7, DRD4 ALDH1A1 618/4885TSHR 293/4885
US-20050256119-A1 C-substituted tricyclic isoxazoline derivatives and their use as anti-depressants ADRA2C, PARK7, TPH2 ALDH1A1 1556/4885TSHR 761/4885

“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.