SCHEMBL10277941

SCHEMBL10277941

O=C(NCC(F)(F)F)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTR2A P28223 1/20 0.37
EPHX2 P34913 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HDAC3 O15379 1/20 0.35
ACACB O00763 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 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
Succinic Acid SCHEMBL507767 0.95 SMN1; SMN2 (0.35) SMN1; SMN2HTR2CHTR2BHTR2AEPHX2
Succinic Acid SCHEMBL506692 0.88 EPHX2 (0.33) HTR2CHTR2BHTR2AEPHX2HDAC6
Succinic Acid SCHEMBL506849 0.87 HDAC3 (0.40) HTR2CHTR2BHTR2AEPHX2HDAC6
SCHEMBL10274772 0.86 WDR5 (0.41) SMN1; SMN2HTR2CHTR2BHTR2AEPHX2
SCHEMBL506713 0.84 HTR2A (0.36) SMN1; SMN2HTR2CHTR2BHTR2AHDAC6
SCHEMBL10277685 0.84 HTR2A (0.41) HTR2CHTR2BHTR2AEPHX2HDAC6
SCHEMBL12175440 0.84 HTR2C (0.43) SMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL506434 0.84 HTR2A (0.34) SMN1; SMN2HTR2CHTR2BHTR2AHDAC6
SCHEMBL506683 0.84 HTR2A (0.39) HTR2CHTR2BHTR2AHDAC6HDAC4
Hydrochloric Acid SCHEMBL507765 0.83 HTR2A (0.40) HTR2CHTR2BHTR2AEPHX2HDAC6

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-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
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 SMN1; SMN2 1853/4885HTR2C 1/4885HTR2B 6/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A SMN1; SMN2 2954/4885HTR2C 1/4885HTR2B 12/4885

“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.