SCHEMBL508863

SCHEMBL508863

CCOc1ccncc1CNc1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
HTR2B P41595 5/20 0.39
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
JAK2 O60674 2/20 0.34
PTK2 Q05397 2/20 0.34
PRKCQ Q04759 1/20 0.33
SLC2A1 P11166 1/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PNMT P11086 2/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL508536 0.79 PDE5A (0.42) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL507476 0.78 HTR2A (0.38) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL10230037 0.78 HTR2B (0.39) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL10228334 0.77 HTR2A (0.48) HTR2AHTR2CHTR2BCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL506755 0.76 HTR2A (0.47) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL507879 0.76 HTR2A (0.36) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL508862 0.75 HTR2A (0.39) SLC6A2SLC6A4HTR2AHTR2CHTR2B
SCHEMBL507813 0.75 HTR2A (0.36) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL507489 0.73 HTR2A (0.43) HTR2AHTR2CHTR2BCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL507204 0.73 HTR2A (0.43) HTR2AHTR2CHTR2BPNMTADRA2A

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
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

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 SLC6A2 223/4885SLC6A4 42/4885HTR2A 4/4885

“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.