SCHEMBL507697

SCHEMBL507697

O=C(N1CCc2cccc(NCc3ccccc3F)c2CC1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.55
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NAMPT P43490 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
MEN1 O00255 1/20 0.36
ABHD6 Q9BV23 1/20 0.36

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
SCHEMBL507662 0.82 ESR1 (0.41) ACKR3ALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL507387 0.77 ACKR3 (0.52) ACKR3NPC1RAB9AKDM4ENAMPT
SCHEMBL10227956 0.73 HTR2C (0.41) ALDH1A1L3MBTL1RXRARXRBRXRG
SCHEMBL506139 0.72 ESR1 (0.59) NPC1RAB9AALDH1A1TAAR1KMT2A
SCHEMBL506963 0.72 ESR1 (0.50) ACKR3ESR1ESR2ABHD6
Hydrochloric Acid SCHEMBL506637 0.72 HTR2C (0.41) ALDH1A1L3MBTL1RXRARXRBRXRG
SCHEMBL19582419 0.72 ACKR3 (1.00) ACKR3
SCHEMBL23553488 0.71 ESR1 (0.52) NPC1RAB9AESR1ESR2ABHD6
SCHEMBL6098283 0.71 ESR1 (0.46) ACKR3NPC1RAB9AL3MBTL1ESR1
SCHEMBL30814383 0.71 ESR1 (0.52) NPC1RAB9AESR1ESR2ABHD6

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 588/4885NPC1 2664/4885RAB9A 3673/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ACKR3 372/4885NPC1 3189/4885RAB9A 1649/4885

“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.