Cyclohexane

Cyclohexane

SCHEMBL507920

C1CCCCC1.CCCN(c1cccnc1)c1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.39
HTR2A P28223 6/20 0.39
HTR2C P28335 6/20 0.39
KCNN4 O15554 1/20 0.34
KCNA5 P22460 1/20 0.34
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
PNMT P11086 3/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CRHR1 P34998 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CYP51A1 Q16850 1/20 0.31

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
SCHEMBL508026 0.72 HTR2B (0.35) HTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL506754 0.69 HTR2C (0.48) HTR2BHTR2AHTR2CCHRNB2CHRNA4
SCHEMBL3965690 0.68 HTR2B (0.47) HTR2BHTR2AHTR2CCHRNB2CHRNA4
SCHEMBL4876661 0.67 SLC6A4 (0.39) HTR2BHTR2AHTR2CKCNA5CHRNB2
SCHEMBL508862 0.67 HTR2A (0.39) HTR2BHTR2AHTR2CCHRNB2CHRNA4
SCHEMBL3965071 0.67 HTR2C (0.46) HTR2BHTR2AHTR2CCHRNB2CHRNA4
SCHEMBL507779 0.65 HTR2A (0.47) HTR2BHTR2AHTR2CCHRNB2CHRNA4
SCHEMBL506667 0.65 NMT1 (0.49) HTR2BHTR2AHTR2CCHRNB2CHRNA4
Pyridine SCHEMBL4876682 0.65 HTR2B (0.43) HTR2BHTR2AHTR2CPNMTADRA2A
SCHEMBL10228823 0.65 HTR2A (0.43) HTR2BHTR2AHTR2CCHRNB2CHRNA4

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 HTR2B 6/4885HTR2A 4/4885HTR2C 1/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTR2B 12/4885HTR2A 4/4885HTR2C 1/4885

“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.