SCHEMBL507405

SCHEMBL507405

NCc1ccc(C(=O)NC2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM1A O60341 3/20 0.53
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
NAMPT P43490 1/20 0.50
HDAC4 P56524 1/20 0.49
HPGD P15428 3/20 0.47
F2 P00734 1/20 0.47
SMYD3 Q9H7B4 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL14115713 0.89 PRSS1 (0.60) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4332613 0.87 PRSS1 (0.59) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL506454 0.86 NPC1 (0.61) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL19480100 0.85 KDM4E (0.58) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL506927 0.84 NPC1 (0.64) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL506714 0.84 NPC1 (0.64) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL28901208 0.84 KDM4E (0.56) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1560664 0.83 KDM1A (0.53) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL23959174 0.82 NPC1 (0.58) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL15088518 0.81 NAMPT (0.54) KDM4ENPC1RAB9AKMT2ASMN1; SMN2

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 KDM4E 1208/4885NPC1 2664/4885RAB9A 3673/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KDM4E 623/4885NPC1 3189/4885RAB9A 1649/4885

“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.