SCHEMBL2766780

SCHEMBL2766780

Oc1ccc(N2CCN(CCc3ccccc3)CC2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.54
ADRA1A P35348 5/20 0.54
ADRA1B P35368 5/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
OPRM1 P35372 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
CASP1 P29466 1/20 0.49
CASP4 P49662 1/20 0.49
CASP5 P51878 1/20 0.49
HTR7 P34969 2/20 0.48
SIGMAR1 Q99720 2/20 0.48

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
SCHEMBL2767436 0.85 HSP90AA1 (0.57) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL2765952 0.84 MEN1 (0.61) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL2767637 0.84 HTR1A (0.54) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL2767088 0.82 HTR1A (0.51) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL2768032 0.81 ADRA1D (0.61) ADRA1DADRA1AADRA1BHTR1ASIGMAR1
SCHEMBL2766366 0.77 HTR1A (0.78) HTR1ADRD2OPRM1ALDH1A1HTR7
SCHEMBL23244347 0.76 KMT2A (0.72) MEN1ALDH1A1KMT2A
SCHEMBL29576156 0.76 KMT2A (0.72) MEN1ALDH1A1KMT2A
SCHEMBL2766286 0.76 HTR1A (0.61) HTR1ADRD2OPRM1SIGMAR1
SCHEMBL2766148 0.75 ADRA1D (0.68) ADRA1DADRA1AADRA1BHTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
EP-1627871-B1 CYCLIC AMINOPHENYL SULFAMATE DERIVATIVE ASKA PHARM CO LTD (JP) 2010-04-14 EP disclosed
US-7449466-B2 Cyclic aminophenyl sulfamate derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-11 US disclosed
US-20060189625-A1 Cyclic aminophenyl sulfamate derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1627871-A1 CYCLIC AMINOPHENYL SULFAMATE DERIVATIVE Teikoku Hormone Mfg. Co., Ltd. (JP) 2006-02-22 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-20060189625-A1 Cyclic aminophenyl sulfamate derivative SHBG, STS, ARSA ADRA1D 2006/4885ADRA1A 2425/4885ADRA1B 1233/4885

“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.