SCHEMBL506725

SCHEMBL506725

CCCc1ccc2c(c1NCc1cccs1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPT P10636 5/20 0.38
GAA P10253 3/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
ACKR3 P25106 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP2D6 P10635 1/20 0.36
ADAM17 P78536 1/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
TP53 P04637 2/20 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
SCHEMBL506726 0.77 ACKR3 (0.37) POLBACKR3ESR1ESR2
SCHEMBL10228399 0.76 ALDH1A1 (0.36) ALDH1A1POLBHPGDTDP1MAPT
SCHEMBL506768 0.75 ESR1 (0.46) ACKR3ESR1ESR2
Hydrochloric Acid SCHEMBL506813 0.75 ALDH1A1 (0.35) ALDH1A1POLBHPGDTDP1MAPT
SCHEMBL506639 0.73 NPC1 (0.46) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL506848 0.71 ESR1 (0.42) ACKR3ESR1ESR2
SCHEMBL507076 0.70 ESR1 (0.50) ACKR3ESR1ESR2ATM
SCHEMBL506804 0.69 ESR1 (0.40) ALDH1A1HPGDMAPTGAAALOX15
SCHEMBL507662 0.68 ESR1 (0.41) ALDH1A1HPGDTDP1MAPTGAA
SCHEMBL506854 0.67 NPC1 (0.43) HPGDMAPTGAAALOX15MEN1

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 ALDH1A1 866/4885POLB 4710/4885HPGD 3805/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ALDH1A1 500/4885POLB 4710/4885HPGD 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.