SCHEMBL506985

SCHEMBL506985

NCc1ccc(Oc2cc(F)cc(F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 4/20 0.73
LOXL2 Q9Y4K0 2/20 0.52
MAOB P27338 6/20 0.52
TAAR1 Q96RJ0 1/20 0.44
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP14 P50281 2/20 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
SCHEMBL919783 0.85 LOXL2 (0.73) ST14LOXL2MAOBTAAR1
SCHEMBL506288 0.85 ST14 (0.62) ST14LOXL2MAOBTAAR1MMP2
Hydrochloric Acid SCHEMBL4369779 0.83 LOXL2 (0.70) ST14LOXL2MAOBTAAR1
SCHEMBL10715281 0.82 VEGFA (0.46) ST14
SCHEMBL4209153 0.82 ST14 (0.85) ST14LOXL2MAOBMMP2MMP9
SCHEMBL9501873 0.80 ST14 (0.45) ST14MAOB
SCHEMBL15903694 0.80 LTA4H (0.59) ST14MMP2MMP9MMP14
SCHEMBL4369759 0.78 ST14 (0.64) ST14LOXL2MAOB
SCHEMBL28006451 0.76 ST14 (0.74) ST14LOXL2MAOBTAAR1MMP2
SCHEMBL921403 0.76 ST14 (0.73) ST14MAOBTAAR1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ST14 1324/4885LOXL2 2235/4885MAOB 194/4885

“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.