SCHEMBL507387

SCHEMBL507387

O=C(N1CCc2cccc(NCCOc3ccccc3)c2CC1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
S1PR5 Q9H228 1/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NAMPT P43490 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL507697 0.77 ACKR3 (0.55) ACKR3KDM4ENPC1RAB9ANAMPT
SCHEMBL10227920 0.73 MAPT (0.45) SMN1; SMN2KDM4EPOLBNPC1MAPT
Hydrochloric Acid SCHEMBL507065 0.72 NPC1 (0.44) SMN1; SMN2KDM4EPOLBNPC1MAPT
SCHEMBL14115778 0.72 ABHD6 (0.62) ACKR3TSHRABHD6ESR1ESR2
SCHEMBL506139 0.71 ESR1 (0.59) SMN1; SMN2HPGDHDAC1NPC1MAPT
SCHEMBL506963 0.71 ESR1 (0.50) ACKR3ABHD6ESR1ESR2
SCHEMBL5420488 0.70 HPGD (0.43) SMN1; SMN2HPGDTSHRHSD17B10KDM4E
SCHEMBL6098283 0.70 ESR1 (0.46) ACKR3NPC1RAB9AABHD6ESR1
SCHEMBL13913916 0.69 TEAD1 (0.67) HDAC1HDAC2NPC1RAB9A
SCHEMBL506193 0.69 ADRA2A (0.64) ACKR3S1PR5ABHD6ESR1ESR2

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 6 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-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 ACKR3 588/4885SMN1; SMN2 1853/4885HPGD 3805/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ACKR3 372/4885SMN1; SMN2 2954/4885HPGD 3744/4885

“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.