SCHEMBL507341

SCHEMBL507341

CC(C)(C)Sc1ccncc1CNc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
SLC22A12 Q96S37 6/20 0.35
ACKR3 P25106 1/20 0.34
CYP11B2 P19099 1/20 0.33
KCNK3 O14649 1/20 0.32
GPR142 Q7Z601 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
HTR2B P41595 1/20 0.30
NAMPT P43490 2/20 0.30

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
SCHEMBL507279 0.85 ATM (0.34) ESR1ESR2ACKR3
SCHEMBL507476 0.79 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL506885 0.78 GPR142 (0.43) ESR1ESR2ACKR3GPR142
SCHEMBL507340 0.78 SLC22A12 (0.35) ESR1ESR2SLC22A12ACKR3CYP11B2
SCHEMBL507662 0.77 ESR1 (0.41) ESR1ESR2ACKR3
SCHEMBL2581911 0.76 ESR1 (0.35) ESR1ESR2ACKR3
SCHEMBL507153 0.76 ESR1 (0.41) ESR1ESR2ACKR3
SCHEMBL506344 0.76 ESR1 (0.44) ESR1ESR2ACKR3
SCHEMBL507472 0.75 HTT (0.42) ESR1ESR2ACKR3
SCHEMBL507876 0.75 ESR1 (0.42) ESR1ESR2ACKR3KCNK3

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 6 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
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 210/4885SLC22A12 451/4885
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 319/4885SLC22A12 1037/4885

“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.