SCHEMBL507352

SCHEMBL507352

Cc1cc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)ccc1C(=O)NC1CCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.40
CNR1 P21554 6/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FAAH O00519 2/20 0.40
TSHR P16473 1/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CRHR1 P34998 1/20 0.37
KMT2A Q03164 1/20 0.36
PDE5A O76074 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL507100 0.91 NPC1 (0.40) CNR2CNR1NPC1RAB9AFAAH
SCHEMBL507680 0.91 NPC1 (0.40) CNR2CNR1NPC1RAB9AFAAH
SCHEMBL10277763 0.83 NPC1 (0.44) CNR2CNR1NPC1RAB9AFAAH
SCHEMBL507687 0.82 CNR2 (0.41) CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL508213 0.82 ESR1 (0.37) HPGDSMN1; SMN2ALDH1A1
SCHEMBL507856 0.80 ESR1 (0.38) NPC1RAB9AFAAHHPGDSMN1; SMN2
SCHEMBL506715 0.80 ESR1 (0.39) PDE5A
Succinic Acid SCHEMBL508040 0.79 NPC1 (0.41) CNR2CNR1NPC1RAB9AFAAH
SCHEMBL508008 0.79 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL2580046 0.79 ESR1 (0.37) HPGDSMN1; SMN2

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 CNR2 75/4885CNR1 78/4885NPC1 2664/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CNR2 108/4885CNR1 88/4885NPC1 3189/4885

“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.