SCHEMBL17123749

SCHEMBL17123749

c1ccc2c(c1)COC1CC21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.38
HTR2C P28335 9/20 0.38
HRH1 P35367 9/20 0.38
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
CYP2D6 P10635 6/20 0.35
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 5/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A3 Q01959 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10371550 0.79 LMNA (0.39) HTR2AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL19121838 0.74 SIGMAR1 (0.42) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL11560207 0.73 HTR2C (0.39) HTR2AHTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL11564664 0.73 HTR6 (0.40) HTR2AHTR2C
SCHEMBL11558186 0.73 HTR2C (0.39) HTR2AHTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL11558397 0.73 HTR2C (0.39) HTR2AHTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL11555550 0.71 SIGMAR1 (0.52) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL29960816 0.71 HTR2A (0.37) HTR2AHTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL3647465 0.71 CYP2D6 (0.33) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL11558475 0.71 SIGMAR1 (0.52) HTR2AHTR2CHRH1ADRA2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2017-06-15 US disclosed
US-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES PFIZER (US) 2015-10-01 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-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES CYP4B1, CTRB1, CTRB2 HTR2A 40/4885HTR2C 44/4885HRH1 165/4885
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PRNP, MAOB HTR2A 37/4885HTR2C 268/4885HRH1 210/4885

“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.