SCHEMBL4181655

SCHEMBL4181655

Cc1ncc2c(N3CCCNCC3)cccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 6/20 0.60
▸ ADRB1 P08588 5/20 0.51
▸ ADRB2 P07550 2/20 0.51
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ HTR1A P08908 5/20 0.49
▸ HTR6 P50406 5/20 0.49
▸ HTR7 P34969 4/20 0.49
▸ HTR3A P46098 4/20 0.49
▸ HTR2A P28223 4/20 0.49
▸ HTR1D P28221 4/20 0.49
▸ HTR1B P28222 3/20 0.49
▸ HTR5A P47898 2/20 0.49
▸ HTR3E A5X5Y0 1/20 0.49
▸ HTR3B O95264 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MTOR P42345 1/20 0.49

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
SCHEMBL430546 0.95 NCF1 (0.56) NCF1ADRB1ADRB2HTR1AHTR6
SCHEMBL4176462 0.83 NCF1 (0.72) NCF1ADRB1ADRB2HTR1AHTR6
SCHEMBL4175589 0.80 PIM2 (0.41) NCF1ADRB1ADRB2HTR1AHTR6
SCHEMBL428165 0.76 NCF1 (0.69) NCF1ADRB1ADRB2HTR1AHTR6
SCHEMBL7719591 0.74 HTR6 (0.87) NCF1ADRB1ADRB2HTR1AHTR6
SCHEMBL23412205 0.72 NCF1 (0.88) NCF1ADRB1ADRB2CHRNB2CHRNA4
SCHEMBL1537943 0.72 NCF1 (0.48) NCF1ADRB1ADRB2CHRNB2CHRNA4
SCHEMBL9310335 0.71 ADRB1 (0.87) NCF1ADRB1HTR1AHTR6HTR7
SCHEMBL27656377 0.71 NCF1 (0.55) NCF1ADRB1ADRB2HTR1AHTR6
SCHEMBL409069 0.70 ADRB1 (0.86) NCF1ADRB1HTR1AHTR6HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 — — US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 — — US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 — — EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 — — WO 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX NCF1 3910/4885ADRB1 359/4885ADRB2 456/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX NCF1 3681/4885ADRB1 1042/4885ADRB2 1020/4885

“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.

Send feedback