SCHEMBL506793

SCHEMBL506793

C[C@@H](NC(=O)c1ccc(CCl)cc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.51
CNR2 P34972 3/20 0.49
EPHX2 P34913 2/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MMP2 P08253 2/20 0.47
CA9 Q16790 2/20 0.47
SMYD3 Q9H7B4 2/20 0.46
P2RX7 Q99572 2/20 0.46

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
SCHEMBL2369222 1.00 MCHR1 (0.51) MCHR1CNR2EPHX2KDM4EALDH1A1
SCHEMBL506794 1.00 MCHR1 (0.51) MCHR1CNR2EPHX2KDM4EALDH1A1
SCHEMBL17865784 0.88 CNR2 (0.57) MCHR1CNR2KDM4EALDH1A1HPGD
SCHEMBL23130344 0.84 IDO1 (0.58) CNR2CYP2C9CYP2C19SMN1; SMN2P2RX7
SCHEMBL27666303 0.81 TAS1R3 (0.55) CNR2EPHX2ALDH1A1CYP1A2CYP2D6
SCHEMBL27666301 0.81 TAS1R3 (0.55) CNR2EPHX2ALDH1A1CYP1A2CYP2D6
SCHEMBL20300383 0.80 ALDH1A1 (0.63) ALDH1A1HPGDCYP1A2CYP2C19LMNA
SCHEMBL29373343 0.79 CNR2 (0.50) MCHR1CNR2KDM4EALDH1A1HPGD
SCHEMBL2909362 0.79 CA12 (0.57) MCHR1CNR2KDM4EALDH1A1HPGD
SCHEMBL13716883 0.78 MCHR1 (0.64) MCHR1CNR2

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 MCHR1 138/4885CNR2 75/4885EPHX2 1833/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MCHR1 101/4885CNR2 108/4885EPHX2 1418/4885

“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.