SCHEMBL506971

SCHEMBL506971

O=C(N1CCc2ccc(Cl)c(OCc3nccs3)c2CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
GRM5 P41594 1/20 0.40
NMT1 P30419 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HCRTR2 O43614 1/20 0.36
CYP3A4 P08684 4/20 0.34
USP2 O75604 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
P2RX7 Q99572 2/20 0.33
MGLL Q99685 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.32
ACKR3 P25106 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
SCHEMBL506865 0.82 ESR1 (0.42) ESR1ESR2GRM5NMT1SMN1; SMN2
SCHEMBL506274 0.78 ESR1 (0.45) ESR1ESR2ACKR3
SCHEMBL507028 0.77 ESR1 (0.44) ESR1ESR2SMN1; SMN2ACKR3
SCHEMBL506156 0.76 ESR1 (0.44) ESR1ESR2SMN1; SMN2ACKR3
SCHEMBL506207 0.75 ESR1 (0.39) ESR1ESR2HTR2CHTR2BHCRTR2
SCHEMBL506548 0.75 ESR2 (0.42) ESR1ESR2SMN1; SMN2ACKR3
SCHEMBL10227503 0.74 NMT1 (0.48) GRM5NMT1HTR2CHTR2BCYP2D6
SCHEMBL506572 0.74 ESR1 (0.40) ESR1ESR2
SCHEMBL505630 0.74 DRD2 (0.42) SMN1; SMN2
Hydrochloric Acid SCHEMBL506179 0.73 NMT1 (0.47) GRM5NMT1HTR2CHTR2BCYP2D6

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 ESR1 331/4885ESR2 210/4885GRM5 43/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR1 311/4885ESR2 319/4885GRM5 69/4885

“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.