SCHEMBL506527

SCHEMBL506527

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(CCl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.72
LSS P48449 1/20 0.56
P2RX1 P51575 1/20 0.55
TMPRSS4 Q9NRS4 1/20 0.55
MTOR P42345 1/20 0.55
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C19 P33261 3/20 0.53
MAPK14 Q16539 2/20 0.53
GAA P10253 2/20 0.53
CYP3A4 P08684 2/20 0.53
MEN1 O00255 1/20 0.53
PLA2G1B P04054 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
TACR1 P25103 3/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL507529 0.90 LSS (0.68) MLYCDLSSCYP1A2CYP2C19MAPK14
SCHEMBL507917 0.81 EPHX2 (0.55) MLYCDLSSCYP1A2CYP2D6CYP2C19
SCHEMBL2946761 0.78 MLYCD (0.65) MLYCDLSSP2RX1TMPRSS4MTOR
SCHEMBL20477571 0.78 MEN1 (0.73) MLYCDLSSCYP1A2CYP2D6CYP2C19
SCHEMBL20543171 0.77 MEN1 (0.51) MLYCDLSSCYP1A2CYP2D6CYP2C19
SCHEMBL21674206 0.77 HDAC6 (0.54) MLYCDALDH1A1KDM4EEPHX2PPARG
SCHEMBL5227678 0.77 MLYCD (0.86) MLYCDLSSCYP1A2CYP2D6CYP2C19
SCHEMBL507217 0.77 PPARG (0.56) MLYCDCYP1A2CYP2C19MEN1KMT2A
SCHEMBL20477562 0.76 L3MBTL1 (0.69) MLYCDLSSMAPK14CYP3A4MEN1
SCHEMBL6572354 0.76 HDAC6 (0.72) MLYCDLSSMAPK14EPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 MLYCD 3257/4885LSS 3518/4885P2RX1 441/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MLYCD 2090/4885LSS 3577/4885P2RX1 277/4885

“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.