SCHEMBL507680

SCHEMBL507680

O=C(NC1CCCCCC1)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CNR2 P34972 9/20 0.39
CNR1 P21554 7/20 0.39
FAAH O00519 1/20 0.39
MOGAT2 Q3SYC2 1/20 0.36
ACKR3 P25106 1/20 0.36
HPGD P15428 1/20 0.36
CRHR1 P34998 1/20 0.36
PREP P48147 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL507100 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2CNR2CNR1
SCHEMBL507352 0.91 CNR2 (0.40) NPC1RAB9ASMN1; SMN2CNR2CNR1
SCHEMBL507369 0.84 ESR1 (0.39) ACKR3PREPESR1ESR2
SCHEMBL507687 0.84 CNR2 (0.41) NPC1RAB9ASMN1; SMN2CNR2ACKR3
SCHEMBL507964 0.84 MAPK1 (0.37) ESR1ESR2
SCHEMBL507965 0.84 MAPK1 (0.37) ESR1ESR2
SCHEMBL507895 0.84 ESR1 (0.37) ACKR3PREPESR1ESR2
SCHEMBL10230561 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2CNR2CNR1
SCHEMBL10274962 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2CNR2CNR1
SCHEMBL10277957 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2CNR2CNR1

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 NPC1 2664/4885RAB9A 3673/4885SMN1; SMN2 1853/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A NPC1 3189/4885RAB9A 1649/4885SMN1; SMN2 2954/4885

“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.