SCHEMBL1899834

SCHEMBL1899834

CC(C)(C)OC(=O)N[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
HTR1B P28222 2/20 0.51
HTR1D P28221 1/20 0.51
SLC6A4 P31645 1/20 0.47
HTR1F P30939 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BRD3 Q15059 2/20 0.46
BAZ2B Q9UIF8 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
OPRM1 P35372 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
VPS4B O75351 1/20 0.45
VCP P55072 1/20 0.45

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
SCHEMBL1899835 1.00 HTR1A (0.51) HTR1AHTR1BHTR1DSLC6A4HTR1F
SCHEMBL1903598 1.00 HTR1A (0.51) HTR1AHTR1BHTR1DSLC6A4HTR1F
SCHEMBL6530651 0.87 HTR1A (0.51) HTR1AHTR1BHTR1DMEN1KMT2A
SCHEMBL12637107 0.87 HTR1A (0.51) HTR1AHTR1BHTR1DMEN1KMT2A
SCHEMBL14624292 0.87 HTR1B (0.53) HTR1AHTR1BHTR1DMEN1KMT2A
SCHEMBL24408396 0.86 HTR1B (0.57) HTR1AHTR1BHTR1DMEN1KMT2A
SCHEMBL8531461 0.86 KMT2A (0.62) HTR1AHTR1BHTR1DMEN1KMT2A
SCHEMBL8527422 0.85 HTR1A (0.49) HTR1AHTR1BHTR1DMEN1KMT2A
SCHEMBL7102071 0.85 HTR1B (0.56) HTR1AHTR1BHTR1DMEN1KMT2A
SCHEMBL834331 0.84 MEN1 (0.53) HTR1AHTR1BHTR1DMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-03-14 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP 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 (1 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-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGDR, PTGER1, PTGDR2 HTR1A 103/4885HTR1B 54/4885HTR1D 79/4885

“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.