SCHEMBL507263

SCHEMBL507263

O=C(N1CCc2ccc(Cl)c(NCc3ccc4c(c3)CCO4)c2CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
FAAH O00519 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
RYR2 Q92736 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GSK3B P49841 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE2A O00408 1/20 0.35
ENPP2 Q13822 1/20 0.34
PRKAB2 O43741 1/20 0.34

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
SCHEMBL506435 0.86 ESR1 (0.46) PKMESR1ESR2ENPP2
SCHEMBL506344 0.83 ESR1 (0.44) PKMESR1ESR2SMN1; SMN2
SCHEMBL506258 0.83 ESR2 (0.51) ESR1ESR2NPC1ENPP2
SCHEMBL506300 0.83 PDE5A (0.47) MAPTESR1ESR2
SCHEMBL12160192 0.82 ESR1 (0.42) PKMESR1ESR2NPC1ENPP2
SCHEMBL2584842 0.81 KCNJ1 (0.43) ESR1ESR2RAB9ANPC1POLB
SCHEMBL508349 0.81 PDE5A (0.40) ESR1ESR2ENPP2
SCHEMBL506844 0.81 ESR1 (0.39) ESR1ESR2
Hydrochloric Acid SCHEMBL2578390 0.81 ESR1 (0.41) ESR1ESR2NPC1ENPP2
SCHEMBL506715 0.80 ESR1 (0.39) ESR1ESR2ENPP2

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 MAPT 4341/4885PKM 4612/4885ESR1 331/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A MAPT 4526/4885PKM 4340/4885ESR1 311/4885

“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.