SCHEMBL3416007

SCHEMBL3416007

CC(=Cc1ccccc1)CN1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
USP2 O75604 1/20 0.66
ALOX15 P16050 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
KDM4E B2RXH2 5/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
NISCH Q9Y2I1 1/20 0.42

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
SCHEMBL3416005 1.00 TSHR (0.66) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL3574805 0.85 TSHR (0.71) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL3574801 0.85 TSHR (0.71) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL3414767 0.84 USP2 (0.48) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL3414770 0.84 USP2 (0.48) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL13539640 0.82 TSHR (0.72) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL27374583 0.81 SIGMAR1 (0.46) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL9564607 0.80 LMNA (0.48) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL8976340 0.79 SMN1; SMN2 (0.68) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL13306991 0.79 TSHR (0.64) TSHRUSP2ALOX15SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554286-B1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2010-01-27 EP disclosed
CN-100522972-C Fused heterocyclic isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV (BE) 2009-08-05 CN disclosed
US-7501418-B2 e.g. 3-[4-(2-Methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-2,5-dioxa-1,7-diaza-dicyclopenta[a,g]naphthalene; serotonine (5-HT) reuptake inhibitor, alpha 2-adrenoceptor antagonist; antidepressant, anxiolytic agent; Parkinson's disease, eating disorders, psychosis, obesity JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 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
CN-100400540-C Isoxazoline derivatives as anti-depressants JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 CN 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
CN-1303085-C C6- and C9-substituted isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV (BE) 2007-03-07 CN disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 US disclosed
EP-1368358-B1 ISOXAZOLINE DERIVATIVES AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2006-08-23 EP disclosed
US-20060122167-A1 C6-and c9-substituted isoxazoline derivatives and their use as anti-depressants JANSSEN-CILAG S.A. (ES) 2006-06-08 US disclosed
US-20060116378-A1 Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants JANSSEN-CILAG S.A. (ES) 2006-06-01 US disclosed
CN-1675223-A C6- and C9-substituted isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV (BE) 2005-09-28 CN disclosed
CN-1675224-A fused heterocyclic isoxazoline derivatives and their use as antidepressants JANSSEN PHARMACEUTICA NV (BE) 2005-09-28 CN disclosed
EP-1554286-A1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-20 EP disclosed
US-20040122037-A1 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2004-06-24 US disclosed
CN-1492871-A Isoxazoline derivatives as anti-depressants ղɭҩҵ���޹�˾ 2004-04-28 CN disclosed
WO-2004018483-A1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-04 WO disclosed
EP-1368358-A1 ISOXAZOLINE DERIVATIVES AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-10 EP disclosed
WO-2002066484-A1 ISOXAZOLINE DERIVATIVES AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-08-29 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 (3 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-20040122037-A1 Isoxazoline derivatives as anti-depressants HTR7, HTR1A, HTR2C TSHR 224/4885USP2 3213/4885ALOX15 2100/4885
US-20060122167-A1 C6-and c9-substituted isoxazoline derivatives and their use as anti-depressants HTR2C, HTR7, DRD4 TSHR 293/4885USP2 3908/4885ALOX15 1489/4885
US-20060116378-A1 Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants PARK7, HTR7, TPH2 TSHR 437/4885USP2 3720/4885ALOX15 419/4885

“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.