SCHEMBL506872

SCHEMBL506872

O=C(N1CCc2ccc(Cl)c(N(Cc3ccccc3)C3CCNC3)c2CC1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.39
SLC6A4 P31645 14/20 0.38
SLC6A2 P23975 14/20 0.38
SLC6A3 Q01959 10/20 0.38
DCUN1D1 Q96GG9 1/20 0.37
KCNH2 Q12809 5/20 0.36
NPY2R P49146 1/20 0.36
TACR1 P25103 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MBTPS1 Q14703 1/20 0.35

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
SCHEMBL506336 0.80 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
Succinic Acid SCHEMBL506380 0.80 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3KCNH2TACR1
SCHEMBL508214 0.79 SMN1; SMN2 (0.43) ACKR3
SCHEMBL507390 0.72 ESR1 (0.39) ACKR3
SCHEMBL506164 0.69 ESR1 (0.55) ACKR3
SCHEMBL14115667 0.69 ESR1 (0.46) ACKR3
SCHEMBL507139 0.68 ESR1 (0.53) ACKR3
SCHEMBL3964983 0.68 ESR1 (0.41) ACKR3SLC6A4SLC6A3CYP2D6
SCHEMBL2208316 0.68 ESR1 (0.40) ACKR3
SCHEMBL507090 0.67 ESR1 (0.41) ACKR3

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 ACKR3 588/4885SLC6A4 99/4885SLC6A2 259/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ACKR3 372/4885SLC6A4 42/4885SLC6A2 223/4885

“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.