SCHEMBL506616

SCHEMBL506616

NCc1ccc(C(=O)NCCc2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
RAB9A P51151 3/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
NPC1 O15118 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
PTAFR P25105 4/20 0.60
MAPT P10636 1/20 0.59
GAA P10253 1/20 0.58
MCHR1 Q99705 1/20 0.56
TBXAS1 P24557 1/20 0.56
TRPV1 Q8NER1 1/20 0.54

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
SCHEMBL13766380 0.86 HDAC2 (0.63) NAMPTHDAC2HDAC8HDAC6RAB9A
SCHEMBL4662136 0.86 RAB9A (0.83) NAMPTHDAC2HDAC8HDAC6RAB9A
SCHEMBL13211915 0.85 RAB9A (0.70) NAMPTHDAC2HDAC8HDAC6RAB9A
SCHEMBL506958 0.83 HDAC6 (0.73) NAMPTHDAC2HDAC8HDAC6RAB9A
SCHEMBL5729004 0.83 HDAC2 (0.71) HDAC2HDAC8HDAC6RAB9AKMT2A
SCHEMBL13762095 0.83 ALDH1A1 (0.76) NAMPTHDAC2HDAC8HDAC6RAB9A
SCHEMBL1831475 0.83 HDAC2 (0.62) NAMPTHDAC2HDAC8HDAC6RAB9A
SCHEMBL14797299 0.82 HDAC2 (0.64) NAMPTHDAC2HDAC8HDAC6RAB9A
SCHEMBL19226497 0.82 LMNA (0.64) NAMPTHDAC2HDAC8HDAC6RAB9A
SCHEMBL13450262 0.82 NPC1 (0.64) NAMPTHDAC2HDAC8HDAC6RAB9A

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 NAMPT 3730/4885HDAC2 1169/4885HDAC8 1964/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A NAMPT 4611/4885HDAC2 3135/4885HDAC8 3914/4885

“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.