SCHEMBL2369602

SCHEMBL2369602

COc1ccc(CNc2c(Cl)ccc3c2CCC(C(=O)C(F)(F)F)NC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SSTR3 P32745 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL2585280 0.79 SCN9A (0.33)
SCHEMBL506930 0.76 ESR1 (0.49) KDM4EASPHKDM8HPGDHDAC6
SCHEMBL10228041 0.72 HTR2A (0.46) KDM4EASPHKDM8ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL507154 0.71 HTR2A (0.45) KDM4EASPHKDM8ALDH1A1SMN1; SMN2
SCHEMBL5732466 0.69 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL5736358 0.69 ALDH1A1 (0.37) KDM4EALDH1A1
SCHEMBL8082297 0.67 KDM4E (0.47) KDM4EASPHKDM8ALDH1A1SMN1; SMN2
SCHEMBL507562 0.66 ESR1 (0.40) HPGD
SCHEMBL508087 0.66 FAAH (0.39) ALDH1A1TSHR
Succinic Acid SCHEMBL10476222 0.65 HTR2C (0.43) HDAC3HDAC4HDAC1HDAC6VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 BLM 4131/4885KDM4E 1208/4885ASPH 2707/4885

“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.