SCHEMBL14115682

SCHEMBL14115682

O=C(NCCCc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
CNR1 P21554 2/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
GAA P10253 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
KMT2A Q03164 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CCR3 P51677 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 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
SCHEMBL14601593 0.85 NAMPT (0.46) NAMPTMTNR1AMTNR1BCNR1DRD2
SCHEMBL3964266 0.84 NAMPT (0.38) NAMPTMTNR1AMTNR1BCNR1ESR1
SCHEMBL3970340 0.84 NAMPT (0.38) NAMPTMTNR1AMTNR1BCNR1ESR1
SCHEMBL14091686 0.84 NAMPT (0.38) NAMPTMTNR1AMTNR1BCNR1ESR1
SCHEMBL3970338 0.84 NAMPT (0.38) NAMPTMTNR1AMTNR1BCNR1ESR1
SCHEMBL3965006 0.82 NPC1 (0.42) NAMPTCNR1ESR2KMT2ADRD2
SCHEMBL3965551 0.79 ESR1 (0.36) NAMPTESR1ESR2KMT2ADRD2
SCHEMBL14115859 0.79 NAMPT (0.40) NAMPTMTNR1AMTNR1BCNR1KMT2A
SCHEMBL3968226 0.79 ESR1 (0.36) NAMPTMTNR1AMTNR1BESR1ESR2
SCHEMBL3968222 0.79 ESR1 (0.36) NAMPTMTNR1AMTNR1BESR1ESR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 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-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists HTR2C, HTR2A, HTR1A NAMPT 4818/4885MTNR1A 213/4885MTNR1B 196/4885

“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.