SCHEMBL507936

SCHEMBL507936

CC(Oc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 1/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
EPHX2 P34913 2/20 0.49
MEN1 O00255 1/20 0.48
MITF O75030 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GRM2 Q14416 4/20 0.45
SRD5A2 P31213 1/20 0.45
PARP10 Q53GL7 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MAPK1 P28482 1/20 0.44
ADCY1 Q08828 1/20 0.43

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
SCHEMBL507870 0.86 PARP10 (0.65) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL7311860 0.85 KMT2A (0.56) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL14677744 0.81 LMNA (0.52) KMT2ASMN1; SMN2NPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL6766361 0.79 KMT2A (0.49) KMT2A
SCHEMBL503642 0.79 KMT2A (1.00) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4946587 0.77 KMT2A (0.59) KMT2ASMN1; SMN2NPC1HPGDRAB9A
Ethane SCHEMBL27686450 0.77 KMT2A (0.96) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6524872 0.77 PARP10 (0.71) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL22244432 0.76 SRD5A2 (0.50) KMT2ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL9558190 0.76 SRD5A2 (0.50) KMT2ASMN1; SMN2NPC1HPGDRAB9A

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 8 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
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO 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 KMT2A 1239/4885SMN1; SMN2 1853/4885NPC1 2664/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KMT2A 1218/4885SMN1; SMN2 2954/4885NPC1 3189/4885

“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.