SCHEMBL10277975

SCHEMBL10277975

CC[C@H](C)NC(=O)c1ccc(CSc2c(Cl)ccc3c2CCNCC3)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.37
RECQL P46063 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HPGD P15428 4/20 0.33
TP53 P04637 1/20 0.33
PTPRG P23470 2/20 0.32
PTPRC P08575 1/20 0.32
GAA P10253 1/20 0.32
NAMPT P43490 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL10476206 1.00 KDM4E (0.37) KDM4EMAPTNPSR1ALDH1A1RECQL
SCHEMBL10476202 1.00 KDM4E (0.37) KDM4EMAPTNPSR1ALDH1A1RECQL
Hydrochloric Acid SCHEMBL507504 0.99 KDM4E (0.37) KDM4EMAPTNPSR1ALDH1A1RECQL
Hydrochloric Acid SCHEMBL507899 0.99 KDM4E (0.37) KDM4EMAPTNPSR1ALDH1A1RECQL
Hydrochloric Acid SCHEMBL507503 0.99 KDM4E (0.37) KDM4EMAPTNPSR1ALDH1A1RECQL
SCHEMBL10476232 0.87 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL10476228 0.87 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL10476227 0.87 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL10274866 0.87 TSHR (0.40) KDM4EMAPTALDH1A1HTR2AHTR2C
Hydrochloric Acid SCHEMBL507623 0.86 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2A

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 9 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 claimed
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 claimed
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 KDM4E 1208/4885MAPT 4341/4885NPSR1 47/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KDM4E 623/4885MAPT 4526/4885NPSR1 60/4885

“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.