SCHEMBL507994

SCHEMBL507994

O=C(NCC1CCCCC1)c1ccc(CCl)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.63
MLYCD O95822 1/20 0.63
CA2 P00918 1/20 0.62
MMP13 P45452 1/20 0.59
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
NAMPT P43490 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC3 O15379 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
SCHEMBL10722498 0.89 HDAC6 (0.77) HDAC6MLYCDCA2MMP13POLB
SCHEMBL13484343 0.85 HDAC6 (0.63) HDAC6MLYCDCA2MMP13POLB
SCHEMBL9546920 0.85 HDAC6 (0.63) HDAC6MLYCDCA2MMP13POLB
SCHEMBL17483892 0.83 HDAC6 (0.70) HDAC6MLYCDCA2MMP13POLB
SCHEMBL8389571 0.83 HDAC6 (0.68) HDAC6MLYCDCA2MMP13POLB
SCHEMBL4518870 0.81 HDAC6 (0.71) HDAC6MLYCDCA2MMP13POLB
SCHEMBL2972720 0.81 HDAC6 (0.67) HDAC6MLYCDCA2MMP13POLB
SCHEMBL13212977 0.81 CA2 (0.69) HDAC6MLYCDCA2MMP13POLB
SCHEMBL9546986 0.81 MMP13 (0.84) HDAC6MLYCDCA2MMP13POLB
SCHEMBL25123079 0.81 SMN1; SMN2 (0.76) HDAC6MLYCDCA2MMP13POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC6 1861/4885MLYCD 3257/4885CA2 4662/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HDAC6 2510/4885MLYCD 2090/4885CA2 4846/4885

“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.