SCHEMBL507205

SCHEMBL507205

CC(C)(C)CNC(=O)c1ccc(CCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ EPHX2 P34913 8/20 0.46
▸ NR1H4 Q96RI1 6/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ ESRRG P62508 2/20 0.46
▸ ESRRB O95718 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ CTSG P08311 1/20 0.44
▸ CTRB1 P17538 1/20 0.44

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
SCHEMBL2248362 0.88 NAMPT (0.48) MEN1KMT2ACYP1A2CYP2C19CA1
SCHEMBL17865785 0.87 ADORA2A (0.59) ADORA2ANAMPTEPHX2NR1H4HDAC6
SCHEMBL20300612 0.85 CYP1A2 (0.47) MEN1KMT2ACYP1A2CYP2C19CA1
SCHEMBL12388322 0.84 PLK1 (0.59) ADORA2ANAMPTEPHX2NR1H4HDAC6
SCHEMBL18652186 0.80 ESRRG (0.55) ADORA2AMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6024562 0.80 NPC1 (0.58) ADORA2AKMT2ANAMPTHDAC6RAB9A
SCHEMBL22040703 0.80 HDAC1 (0.60) ADORA2ACA1CA2NAMPTHDAC6
SCHEMBL6078477 0.80 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C19CA1
SCHEMBL13483866 0.80 RAB9A (0.60) MEN1KMT2ACYP1A2CYP2C19EPHX2
SCHEMBL10272441 0.80 LSS (0.61) ADORA2AMEN1KMT2ACYP1A2CYP2C19

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 ADORA2A 104/4885MEN1 3996/4885KMT2A 1239/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ADORA2A 38/4885MEN1 3801/4885KMT2A 1218/4885

“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.

Send feedback