SCHEMBL2368626

SCHEMBL2368626

CC(C)(C)N1CCN(CC#Cc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)C1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
ACKR3 P25106 1/20 0.31
PKM P14618 1/20 0.30
ABHD6 Q9BV23 1/20 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
SCHEMBL2369184 0.81 HTR2C (0.39)
SCHEMBL3966652 0.78 ESR1 (0.39) ESR1ESR2ACKR3PKMABHD6
SCHEMBL3965534 0.76 ESR1 (0.37) ESR1ESR2ACKR3
SCHEMBL507887 0.75 ESR1 (0.43) ESR1ESR2ACKR3PKMABHD6
SCHEMBL3965551 0.73 ESR1 (0.36) ESR1ESR2ACKR3
SCHEMBL2255041 0.73 ESR1 (0.48) ESR1ESR2ACKR3PKMABHD6
SCHEMBL3963048 0.73 ESR1 (0.43) ESR1ESR2ACKR3PKMABHD6
SCHEMBL507366 0.70 ESR1 (0.41) ESR1ESR2ACKR3PKMABHD6
SCHEMBL506164 0.69 ESR1 (0.55) ESR1ESR2ACKR3PKMABHD6
SCHEMBL507681 0.69 GRM5 (0.43) ESR1ESR2

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 4 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-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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 ESR1 331/4885ESR2 210/4885ACKR3 588/4885

“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.