SCHEMBL507202

SCHEMBL507202

CC(Cc1ccccc1)NC(=O)c1ccc(CN)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.76
NPC1 O15118 5/20 0.76
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 1/20 0.65
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
HTT P42858 1/20 0.60
HPGD P15428 1/20 0.56
ACACB O00763 3/20 0.55
HSP90AA1 P07900 1/20 0.53
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
PTPN1 P18031 1/20 0.50

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
SCHEMBL11949543 0.88 RAB9A (0.79) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL880676 0.88 RAB9A (0.79) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL23099741 0.84 NPC1 (0.74) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4103656 0.84 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL15517700 0.82 PTPN1 (0.72) KMT2AMEN1ALDH1A1PTPN1
SCHEMBL15517699 0.82 PTPN1 (0.72) KMT2AMEN1ALDH1A1PTPN1
SCHEMBL24862899 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL1123162 0.81 ACACB (0.67) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL506305 0.81 ALDH1A1 (0.66) NPC1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL506306 0.81 ALDH1A1 (0.66) NPC1SMN1; SMN2KMT2AMEN1HTT

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 RAB9A 3673/4885NPC1 2664/4885SMN1; SMN2 1853/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A RAB9A 1649/4885NPC1 3189/4885SMN1; SMN2 2954/4885

“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.